SCHEMBL8701316

SCHEMBL8701316

O=C(O)Cc1cccc(Cc2ccccc2C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
AKR1B1 P15121 1/20 0.50
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
PTPN1 P18031 4/20 0.46
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
HNF4A P41235 1/20 0.45
FOLH1 Q04609 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ACMSD Q8TDX5 1/20 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
SCHEMBL4394949 0.86 FOLH1 (0.51) TSHRAKR1B1FOLH1PPARGPPARA
SCHEMBL11143386 0.85 AKR1B1 (0.55) TSHRAKR1B1PLA2G10PLA2G2A
SCHEMBL4861257 0.83 TSHR (0.70) TSHRPLA2G2ACA1CA2CA9
SCHEMBL23003 0.82 TSHR (0.79) TSHRCA1CA2CA9PTPN1
SCHEMBL9566231 0.82 AKR1B1 (0.52) TSHRAKR1B1PLA2G10PLA2G2APTPN1
SCHEMBL4557746 0.81 AKR1B1 (0.64) TSHRAKR1B1PLA2G10PLA2G2AHNF4A
Ammonia Solution, Strong SCHEMBL27527756 0.81 TSHR (0.76) TSHRCA1CA2CA9PTPN1
SCHEMBL28370887 0.81 TSHR (0.76) TSHRCA1CA2CA9PTPN1
SCHEMBL2628166 0.81 TSHR (0.57) TSHRCA1CA2CA9PTPN1
SCHEMBL7374000 0.81 TSHR (0.57) TSHRCA1CA2CA9PTPN1

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-5827868-A Prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1998-10-27 US disclosed
EP-0536713-A1 Oxazole and imidazole derivatives as prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1993-04-14 EP disclosed