SCHEMBL9688628

SCHEMBL9688628

CCOC(=O)C(CCn1cccc1C(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
ALOX12 P18054 1/20 0.52
RECQL P46063 1/20 0.52
TSHR P16473 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GFER P55789 1/20 0.42

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
SCHEMBL9690007 0.88 RECQL (0.54) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL9689730 0.88 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL9688014 0.88 NPC1 (0.47) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL9687992 0.86 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL9689107 0.86 TDP1 (0.41) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL16726836 0.84 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL9687989 0.84 ELANE (0.38) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL9689342 0.81 ALDH1A1 (0.43) ALDH1A1MAPTLMNAALOX12TSHR
SCHEMBL9689319 0.81 TSHR (0.43) ALDH1A1KMT2AMAPTLMNATSHR
SCHEMBL9689977 0.80 TDP1 (0.36) ALDH1A1MEN1KMT2AMAPTLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039298-A Preparation method of (strych) -5-benzoyl-2, 3-dihydro-1H-pyridine-1-carboxylic acid 北京云鹏鹏程医药科技有限公司 2024-11-29 CN claimed
CN-119039298-A Preparation method of (strych) -5-benzoyl-2, 3-dihydro-1H-pyridine-1-carboxylic acid 北京云鹏鹏程医药科技有限公司 2024-11-29 CN disclosed
CN-113185443-A Preparation method of ketorolac tromethamine intermediate 鲁南制药集团股份有限公司 2021-07-30 CN disclosed
EP-0486807-A1 Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1992-05-27 EP disclosed
US-5082951-A Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates (I) and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed