SCHEMBL6419650

SCHEMBL6419650

Cc1c(C(=NO)c2ccc3c(C(=O)O)cccc3c2)cc(-c2ccccc2)c(OCc2ccccc2)c1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.41
PTPN1 P18031 1/20 0.40
PTGER1 P34995 4/20 0.38
KDM4E B2RXH2 1/20 0.38
DHODH Q02127 2/20 0.35
PTGER4 P35408 2/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33

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
SCHEMBL5046526 0.82 P2RY14 (0.41) P2RY14PTPN1PTGER1DHODHRXRA
SCHEMBL5046531 0.82 P2RY14 (0.41) P2RY14PTPN1PTGER1DHODHRXRA
SCHEMBL6423613 0.75 HPGD (0.49) PTPN1PTGER1KDM4E
SCHEMBL6422110 0.74 MAOB (0.46) P2RY14KDM4ERXRARXRBRXRG
SCHEMBL6422106 0.74 MAOB (0.46) P2RY14KDM4ERXRARXRBRXRG
SCHEMBL5049355 0.71 PTPN1 (0.38) PTPN1DHODH
SCHEMBL5049354 0.71 PTPN1 (0.38) PTPN1DHODH
SCHEMBL6423841 0.68 ERN1 (0.41) PTPN1
SCHEMBL8797209 0.65 PTGER1 (0.55) P2RY14PTGER1PTGER4RXRARXRB
SCHEMBL6419672 0.64 MAOB (0.47) P2RY14RXRARXRBRXRG

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
EP-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO disclosed