SCHEMBL11583249

SCHEMBL11583249

Cc1cccc(OS(=O)(=O)c2cccc(C(=O)O)c2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ GFER P55789 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ FABP4 P15090 1/20 0.38
▸ DVL1 O14640 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ ESR2 Q92731 1/20 0.38

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
SCHEMBL11583037 0.86 KDM4E (0.48) POLBGFERMAPK1CYP1A2CYP2C9
SCHEMBL1286026 0.86 MEN1 (0.47) POLBCYP1A2CYP2C9CYP2C19LMNA
SCHEMBL1285933 0.81 MEN1 (0.49) POLBMAPK1PPARGLMNAMEN1
SCHEMBL11699547 0.81 FABP4 (0.45) POLBMEN1ALDH1A1KMT2AFABP4
SCHEMBL11702312 0.81 MAPK1 (0.41) POLBGFERMAPK1PPARGCYP1A2
SCHEMBL4583233 0.77 CYP1A2 (0.45) MAPK1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL11584038 0.77 GPR17 (0.46) POLBGFERMAPK1PPARGCYP2C9
SCHEMBL11583248 0.76 MAPK1 (0.48) POLBGFERMAPK1PPARGCYP1A2
SCHEMBL8962250 0.76 POLB (0.48) POLBMEN1ALDH1A1KMT2AFABP4
SCHEMBL7633011 0.76 CA1 (0.44) ALDH1A1FABP4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4101551-A WATER INSOLUBILITY, AFFINITY FOR POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 — — US disclosed
US-4024144-A SULFONIC ACID GROUPS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 — — US disclosed
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