SCHEMBL9204580

SCHEMBL9204580

C=C(C(=O)O)c1cc(CC(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.56
FFAR4 Q5NUL3 1/20 0.47
FFAR1 O14842 1/20 0.47
RXRB P28702 3/20 0.46
RXRA P19793 2/20 0.46
RXRG P48443 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGER1 P34995 3/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
SGMS2 Q8NHU3 2/20 0.44
BRD4 O60885 1/20 0.43
TBXA2R P21731 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
SCHEMBL9205727 0.87 FOLH1 (0.51) FOLH1FFAR4FFAR1RXRBRXRA
SCHEMBL11508209 0.86 FOLH1 (0.74) FOLH1FFAR4FFAR1RXRBRXRA
SCHEMBL3817639 0.81 FFAR4 (0.55) FOLH1FFAR4FFAR1RXRBRXRA
SCHEMBL27723974 0.81 SGMS2 (0.59) FOLH1ALDH1A1L3MBTL1PTGER1SGMS2
SCHEMBL9480767 0.79 FOLH1 (0.50) FOLH1FFAR4KDM4EALDH1A1POLB
SCHEMBL16564246 0.79 GAA (0.62) FOLH1FFAR4FFAR1RXRBRXRA
SCHEMBL30028671 0.79 GAA (0.62) FOLH1FFAR4FFAR1RXRBRXRA
SCHEMBL3954112 0.77 S1PR5 (0.60) FOLH1FFAR4FFAR1RXRBRXRA
SCHEMBL29243051 0.77 RAB9A (0.55) FOLH1FFAR4FFAR1RXRBRXRA
SCHEMBL3950358 0.77 PPARD (0.60) FFAR4FFAR1RXRBRXRARXRG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538416-B1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1995-08-09 EP disclosed
EP-0538416-A4 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1994-05-18 EP disclosed
US-5232948-A SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-08-03 US disclosed
EP-0538416-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-04-28 EP disclosed
WO-1992004315-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-03-19 WO disclosed