SCHEMBL28111049

SCHEMBL28111049

COc1c(CCCCO)ccc(CO)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
PGR P06401 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAOA P21397 1/20 0.35
TBXA2R P21731 1/20 0.35
MAPK1 P28482 1/20 0.35
AVPR2 P30518 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
HTT P42858 1/20 0.35
PDE3A Q14432 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SLC29A1 Q99808 1/20 0.35

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
SCHEMBL28065858 0.81 ALOX5 (0.36) CYP4A11MAPTLMNAALOX5AOC3
SCHEMBL16791967 0.76 PTGER4 (0.42) CYP4F2CYP4A11MAPTLMNAPGR
SCHEMBL14539258 0.74 PDCD1 (0.39) PDCD1CD274MAPTLMNACYP3A4
SCHEMBL20147971 0.74 PDCD1 (0.46) PDCD1CD274MAPTLMNAMAPK1
SCHEMBL9510542 0.72 ALOX5 (0.53) MAPK1ALOX5PTGS2
SCHEMBL25297854 0.71 TNKS2 (0.39) CYP4A11TYRAOC3
SCHEMBL4774241 0.71 AOC3 (0.56) MAPTLMNATDP1AOC3
SCHEMBL9579736 0.71 ALOX5 (0.51) MAPK1ALOX5PTGS2
SCHEMBL11096547 0.71 KDM4E (0.45) CYP4F2CYP4A11MAPTLMNAPGR
SCHEMBL20234383 0.71 MEP1B (0.46) CYP4F2CYP4A11ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106255678-B The method for preparing carbamate-functional substance using Zr catalyst 巴斯夫涂料有限公司 2019-03-15 CN disclosed
CN-106459659-A Method using titanium catalyst for producing carbamate-functional materials 巴斯夫涂料有限公司 2017-02-22 CN disclosed
CN-106255678-A Use the method that Zr catalyst prepares carbamate-functional material 巴斯夫涂料有限公司 2016-12-21 CN disclosed