SCHEMBL11545459

SCHEMBL11545459

CCOC(=O)C=C(C)c1ccc(Oc2ccc(Cl)cc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
SCN9A Q15858 7/20 0.42
FPR2 P25090 2/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGER4 P35408 2/20 0.39
ALDH1A1 P00352 1/20 0.39
IGFBP3 P17936 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGER2 P43116 1/20 0.37
HIF1A Q16665 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
FFAR1 O14842 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL11544620 0.88 FFAR1 (0.48) F2PLGPRSS1LMNAMAPT
SCHEMBL11543080 0.88 F2 (0.47) F2PLGPRSS1LMNAMAPT
SCHEMBL11540797 0.87 SCN9A (0.46) SCN9AFPR2LMNASMN1; SMN2PTGER4
SCHEMBL11544485 0.84 SCN9A (0.46) SCN9AFPR2LMNASMN1; SMN2PTGER4
SCHEMBL4799775 0.80 F2 (0.52) F2PLGPRSS1LMNAMAPT
SCHEMBL9518987 0.80 SMN1; SMN2 (0.50) F2PLGPRSS1LMNAMAPT
SCHEMBL4741524 0.80 F2 (0.52) F2PLGPRSS1LMNAMAPT
SCHEMBL756150 0.79 MAPT (0.53) SCN9AFPR2LMNAMAPTSMN1; SMN2
SCHEMBL11540799 0.78 SCN9A (0.45) SCN9AFPR2MAPTSMN1; SMN2PTGER4
SCHEMBL11545463 0.78 MAOB (0.48) F2PLGPRSS1LMNAMAPT

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-4151302-A Araliphatic dihalogen compounds composition and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-04-24 US disclosed
US-4057647-A Araliphatic dihalogen compounds and process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-11-08 US disclosed