SCHEMBL11584035

SCHEMBL11584035

Cc1cccc(OC(=O)c2ccc(S(=O)(=O)O)cc2C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL11584073 0.88 KDM4E (0.48) LMNAHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL11583826 0.87 MAPT (0.47) LMNAHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL11585100 0.86 KDM4E (0.51) LMNAHSD17B10ALOX15MAPK1ALOX5
SCHEMBL11585598 0.86 ALDH1A1 (0.46) HSD17B10ALOX15ALDH1A1HPGDKDM4E
SCHEMBL11582903 0.85 ALDH1A1 (0.48) HSD17B10ALDH1A1HPGDKDM4EMAPT
SCHEMBL11583633 0.85 S1PR3 (0.44) LMNAHSD17B10MAPK1ALOX5ALDH1A1
SCHEMBL11585131 0.85 KDM4E (0.44) LMNAHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL11583353 0.85 ALDH1A1 (0.44) LMNAHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL11583837 0.84 S1PR3 (0.46) LMNAHSD17B10ALOX15MAPK1ALDH1A1
SCHEMBL11582661 0.83 MAPT (0.45) LMNAHSD17B10ALOX15MAPK1HPGD

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-4101551-A WATER INSOLUBILITY, AFFINITY FOR POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 — — US disclosed
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