SCHEMBL11583633

SCHEMBL11583633

CCc1cccc(OC(=O)c2ccc(S(=O)(=O)O)cc2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ METAP2 P50579 2/20 0.40
▸ POLB P06746 3/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ TAS2R14 Q9NYV8 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ BCL2 P10415 1/20 0.37
▸ APEX1 P27695 1/20 0.37

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
SCHEMBL11583837 0.87 S1PR3 (0.46) S1PR3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11584035 0.85 LMNA (0.47) S1PR3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11583826 0.85 MAPT (0.47) S1PR3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11585100 0.84 KDM4E (0.51) S1PR3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11582661 0.84 MAPT (0.45) S1PR3HPGDHSD17B10POLBMAPT
SCHEMBL11585598 0.84 ALDH1A1 (0.46) S1PR3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11585131 0.82 KDM4E (0.44) S1PR3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11583353 0.82 ALDH1A1 (0.44) S1PR3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11583638 0.80 PTPN1 (0.42) ALDH1A1METAP2POLBGAATAS2R14
SCHEMBL11585603 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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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