SCHEMBL11699547

SCHEMBL11699547

COc1ccc(OS(=O)(=O)c2cccc(C(=O)O)c2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 2/20 0.45
▸ USP2 O75604 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MMP2 P08253 4/20 0.43
▸ MMP8 P22894 4/20 0.43
▸ MMP12 P39900 4/20 0.43
▸ MMP13 P45452 4/20 0.43
▸ MMP14 P50281 4/20 0.43
▸ MMP16 P51512 4/20 0.43
▸ MMP9 P14780 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ POLB P06746 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 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
SCHEMBL11583037 0.89 KDM4E (0.48) FABP4MEN1KMT2ARAB9APOLB
SCHEMBL1286026 0.88 MEN1 (0.47) FABP4MMP2MMP8MMP13MMP9
SCHEMBL8964215 0.83 MMP2 (0.59) FABP4USP2TP53MMP2MMP8
SCHEMBL1285933 0.81 MEN1 (0.49) FABP4MEN1KMT2ANPC1RAB9A
SCHEMBL11583249 0.81 POLB (0.44) FABP4MEN1KMT2APOLBALDH1A1
SCHEMBL11703824 0.80 BCL2L1 (0.43) FABP4USP2TP53MEN1KMT2A
SCHEMBL4583233 0.79 CYP1A2 (0.45) FABP4USP2MMP2MMP8MMP13
SCHEMBL7633011 0.78 CA1 (0.44) FABP4MMP2MMP8MMP13MMP9
SCHEMBL11775991 0.78 MAPT (0.47) USP2TP53MMP2MMP8MMP12
Water SCHEMBL7623289 0.78 CYP1A2 (0.44) FABP4USP2MMP2MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4024144-A SULFONIC ACID GROUPS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 — — US disclosed
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