SCHEMBL7189942

SCHEMBL7189942

O=C(O)c1c(Oc2ccccc2)ccc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TTR P02766 2/20 0.44
STK39 Q9UEW8 1/20 0.41
FFAR1 O14842 1/20 0.41
SCN8A Q9UQD0 2/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
MAOB P27338 1/20 0.40
CTNNB1 P35222 1/20 0.40
RAF1 P04049 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
SRD5A2 P31213 1/20 0.38

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
SCHEMBL15053960 0.95 TTR (0.42) KDM4EHSD17B10TTRSTK39FFAR1
SCHEMBL3184216 0.90 SCN8A (0.39) KDM4EHSD17B10TTRSTK39FFAR1
SCHEMBL29407084 0.89 SCN9A (0.38) FFAR1SCN8ASCN10ALPAR1LPAR5
SCHEMBL3193329 0.89 RXRA (0.42) ALDH1A1HPGDRXRARXRBRXRG
SCHEMBL29404903 0.89 RXRA (0.42) ALDH1A1HPGDRXRARXRBRXRG
SCHEMBL4858908 0.86 RXRA (0.47) STK39ALDH1A1HPGDLPAR1LPAR5
SCHEMBL11593758 0.84 KDM4E (0.48) KDM4EHSD17B10TTRCTNNB1ALDH1A1
SCHEMBL4854759 0.81 AR (0.45) ALDH1A1HPGDRXRARXRBRXRG
SCHEMBL29404812 0.79 MRGPRX4 (0.39) SCN8ASCN10AALDH1A1HPGDRXRA
SCHEMBL3188651 0.79 MRGPRX4 (0.39) SCN8ASCN10AALDH1A1HPGDRXRA

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-20030054184-A1 Optical element, method for the production thereof and optical module HITACHI CHEMICAL CO., LTD. (JP) 2003-03-20 US disclosed