SCHEMBL6469191

SCHEMBL6469191

CN(C(=O)O)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43
CA12 O43570 4/20 0.43
CA9 Q16790 3/20 0.43
CA2 P00918 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
CA4 P22748 2/20 0.43
HMGB1 P09429 1/20 0.43
CA6 P23280 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
TSPO P30536 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
SCHEMBL11508564 0.82 GAA (0.54) ALDH1A1SMN1; SMN2TSHRMAPTGAA
SCHEMBL5536970 0.82 TSPO (0.55) CXCR2ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL8812454 0.81 KMT2A (0.49) CXCR2ALDH1A1SMN1; SMN2TSHRTP53
Benzene SCHEMBL28335658 0.80 TRPM8 (0.50) ALDH1A1HSD17B1LMNA
SCHEMBL1029152 0.80 TRPM8 (0.50) ALDH1A1HSD17B1LMNA
SCHEMBL6226349 0.80 ALDH1A1 (0.45) CXCR2ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL30896386 0.80 ALDH1A1 (0.45) CXCR2ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL11565235 0.79 GAA (0.61) CXCR2ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL2091489 0.78 DDB1 (0.47) ALDH1A1SMN1; SMN2TSHRMAPTGAA
SCHEMBL1838817 0.78 MAPK13 (0.41) ALDH1A1SMN1; SMN2TSHRMAPTGAA

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
EP-4001263-A1 CARBAMATE-SUBSTITUTED STYRYL SULFONE COMPOUND, PREPARATION METHOD, AND APPLICATION THEREOF Huaxiashengsheng Pharmaceutical Beijing Co., Ltd. (CN) 2022-05-25 EP disclosed
EP-1525247-A2 COMPLEXING AGENT FOR TREATING METALLIC AND PLASTIC SURFACES BASF AKTIENGESELLSCHAFT (DE) 2005-04-27 EP disclosed
EP-1461471-A2 POLYMER DERIVATIVES FOR TREATING METALS BASF AKTIENGESELLSCHAFT (DE) 2004-09-29 EP disclosed
WO-2004001099-A2 COMPLEXING AGENT FOR TREATING METALLIC AND PLASTIC SURFACES BASF AKTIENGESELLSCHAFT (DE) 2003-12-31 WO disclosed
WO-2003056062-A2 POLYMER DERIVATIVES FOR TREATING METALS BASF AKTIENGESELLSCHAFT (DE) 2003-07-10 WO disclosed