SCHEMBL11395874

SCHEMBL11395874

C[C@@H](C/C=C/C(=O)CCc1cccc(C(F)(F)F)c1)CCCC(C)(C)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 5/20 0.39
▸ FFAR4 Q5NUL3 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ HTR2B P41595 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ FFAR1 O14842 2/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ NR3C2 P08235 1/20 0.37

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
SCHEMBL11396435 0.85 GPR52 (0.37) FFAR4FFAR1TAAR1
SCHEMBL11391703 0.85 GPR52 (0.51) LMNAALOX5RAB9A
SCHEMBL11402166 0.79 LMNA (0.44) LMNAHDAC1HDAC8ALOX5NPC1
SCHEMBL11393634 0.78 GPR52 (0.37) LMNAGAAHDAC1HDAC8ALOX5
SCHEMBL11394250 0.76 MAPT (0.39) LMNA
SCHEMBL11398878 0.74 SLC6A2 (0.37) LMNAMC4RSLC6A2SLC6A4TAAR1
SCHEMBL11407909 0.71 HPGD (0.46) GAAHDAC1TAAR1
SCHEMBL11388461 0.70 PPARG (0.43) LMNA
SCHEMBL10869104 0.69 FFAR4 (0.39) FFAR4LMNAGAAHDAC1HDAC8
SCHEMBL10869102 0.69 FFAR4 (0.39) FFAR4LMNAGAAHDAC1HDAC8

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-4243683-A INSECTICIDES, MITICIDES MAY & BAKER LIMITED (GB) 1981-01-06 — — US claimed
US-4243683-A INSECTICIDES, MITICIDES MAY & BAKER LIMITED (GB) 1981-01-06 — — US disclosed
Send feedback