SCHEMBL9739385

SCHEMBL9739385

CCOC(=O)COc1ccccc1OCc1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.55
NPC1 O15118 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FFAR1 O14842 2/20 0.53
LTA4H P09960 11/20 0.52
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
PLA2G4B P0C869 1/20 0.48
NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL9713562 0.86 FFAR1 (0.64) FFAR1LTA4HPLA2G4B
SCHEMBL1752763 0.82 FFAR1 (0.70) FFAR1LTA4H
SCHEMBL9856987 0.81 LMNA (0.55) ABCB1NPC1RAB9ANR1H4
SCHEMBL8890454 0.81 FFAR1 (0.59) FFAR1LTA4HNR1H4
SCHEMBL6187602 0.80 NR1H4 (0.64) NPC1MAPK1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL7914606 0.80 NPC1 (0.56) ABCB1NPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL8887581 0.80 FFAR1 (0.58) FFAR1LTA4HNR1H4
SCHEMBL8890073 0.80 FFAR1 (0.58) FFAR1LTA4HNR1H4
SCHEMBL8888760 0.80 FFAR1 (0.58) FFAR1LTA4HNR1H4
SCHEMBL19825762 0.79 FFAR1 (0.61) FFAR1LTA4HNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116853-A SRS-Antagonist, Antiallergens MASE TOSHIYASU (JP) 1992-05-26 US disclosed
US-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP disclosed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed