SCHEMBL11409709

SCHEMBL11409709

O=C(O)c1ccc(/C=N/c2ccccc2O)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.46
▸ HNF4A P41235 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ ALDH1A1 P00352 9/20 0.46
▸ KDM4E B2RXH2 9/20 0.46
▸ HPGD P15428 7/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ LMNA P02545 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ POLB P06746 3/20 0.44
▸ DHODH Q02127 1/20 0.43
▸ PTPN2 P17706 1/20 0.42
▸ PTPN6 P29350 1/20 0.42
▸ RAB9A P51151 3/20 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
SCHEMBL11409711 1.00 PTPN1 (0.46) PTPN1HNF4APTGS1PTGS2ALDH1A1
SCHEMBL11423226 0.84 ALDH1A1 (0.45) PTPN1HNF4APTGS1PTGS2ALDH1A1
SCHEMBL11423177 0.84 ALDH1A1 (0.45) PTPN1HNF4APTGS1PTGS2ALDH1A1
SCHEMBL11423175 0.84 ALDH1A1 (0.45) PTPN1HNF4APTGS1PTGS2ALDH1A1
SCHEMBL11423229 0.84 ALDH1A1 (0.45) PTPN1HNF4APTGS1PTGS2ALDH1A1
SCHEMBL11429663 0.78 TSHR (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL11429665 0.78 TSHR (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL14982912 0.78 CA12 (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL11407450 0.77 POLB (0.57) PTGS1PTGS2ALDH1A1KDM4EHPGD
SCHEMBL11407451 0.77 POLB (0.57) PTGS1PTGS2ALDH1A1KDM4EHPGD

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-4200648-A INFLAMMATION BY ADMINISTERING A BENZYLIDENEANILINE DERIVATIVE WILLIAM H. RORER, INC. (US) 1980-04-29 — — US disclosed
US-4198349-A ANTIINFLAMMATORY, TOPICAL WILLIAM H. RORER, INC. (US) 1980-04-15 — — US disclosed
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