SCHEMBL5168366

SCHEMBL5168366

C[C@H](OCc1ccccc1)C(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GLRA1 P23415 1/20 0.48
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL839677 1.00 ALDH1A1 (0.53) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL5169494 1.00 ALDH1A1 (0.53) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL28656889 0.98 ALDH1A1 (0.52) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7924569 0.95 KMT2A (0.49) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL12437213 0.90 PPARG (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL1968068 0.90 PPARG (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL138281 0.85 KMT2A (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL138280 0.85 KMT2A (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL27757196 0.85 KMT2A (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL1706675 0.85 KMT2A (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109796368-B Synthesis method of N' - [ (2S,3S) -2- (benzyloxy) pentan-3-yl ] formylhydrazine 浙江大学宁波理工学院 2021-11-02 CN claimed
CN-109651187-B Synthesis method of (S) -N' - (2-benzyloxypropylene) formylhydrazine 宁波新极新材料科技有限公司 2021-07-09 CN claimed
CN-109796368-A A kind of synthetic method of N '-[(2S, 3S) -2-(benzyloxy) amyl- 3- yl] formylhydrazine 浙江大学宁波理工学院 2019-05-24 CN claimed
CN-109651187-A The synthetic method of one kind (S)-N '-(2- benzyloxy propylidene) formylhydrazine 宁波新极新材料科技有限公司 2019-04-19 CN claimed
CN-109651132-A The synthetic method of one kind (S) -2- benzyloxy propionic aldehyde 宁波新凯生物科技有限公司 2019-04-19 CN claimed
CN-109796368-B Synthesis method of N' - [ (2S,3S) -2- (benzyloxy) pentan-3-yl ] formylhydrazine 浙江大学宁波理工学院 2021-11-02 CN disclosed
CN-109796368-B Synthesis method of N' - [ (2S,3S) -2- (benzyloxy) pentan-3-yl ] formylhydrazine 浙江大学宁波理工学院 2021-11-02 CN disclosed
CN-109651187-B Synthesis method of (S) -N' - (2-benzyloxypropylene) formylhydrazine 宁波新极新材料科技有限公司 2021-07-09 CN disclosed
CN-109651187-B Synthesis method of (S) -N' - (2-benzyloxypropylene) formylhydrazine 宁波新极新材料科技有限公司 2021-07-09 CN disclosed
CN-109796368-A A kind of synthetic method of N '-[(2S, 3S) -2-(benzyloxy) amyl- 3- yl] formylhydrazine 浙江大学宁波理工学院 2019-05-24 CN disclosed
CN-109796368-A A kind of synthetic method of N '-[(2S, 3S) -2-(benzyloxy) amyl- 3- yl] formylhydrazine 浙江大学宁波理工学院 2019-05-24 CN disclosed
CN-109651132-A The synthetic method of one kind (S) -2- benzyloxy propionic aldehyde 宁波新凯生物科技有限公司 2019-04-19 CN disclosed
US-6051583-A CARDIOVASCULAR DISORDERS; BRAIN DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-18 US disclosed
EP-0736256-B1 Enantiomerically-enhanced nutritional energy substrates BAXTER INT (US) 1999-06-23 EP disclosed
WO-1999014199-A1 SUBSTITUTED 1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-3-BENZAZOCINE-10-OLES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-03-25 WO disclosed
US-5731318-A NEUROLOGICAL DISORDERS BOEHRINGER INGELHEIM KG (DE) 1998-03-24 US disclosed
US-5607941-A BENZOMORPHAN DERIVATIVES BOEHRINGER INGELHEIM KG (DE) 1997-03-04 US disclosed
EP-0736256-A1 Enantiomerically-enhanced nutritional energy substrates CLINTEC NUTRITION COMPANY (US) 1996-10-09 EP disclosed
EP-0521422-B1 Benzomorphanes and their use as pharmaceuticals BOEHRINGER INGELHEIM KG (DE) 1996-05-08 EP disclosed
EP-0521422-A1 Benzomorphanes and their use as pharmaceuticals BOEHRINGER INGELHEIM KG (DE) 1993-01-07 EP disclosed