SCHEMBL9060907

SCHEMBL9060907

CCCCCCCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.53
HSD17B10 Q99714 3/20 0.51
TSHR P16473 1/20 0.51
RARB P10826 7/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
RARA P10276 2/20 0.50
MTOR P42345 1/20 0.50
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 2/20 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
SCHEMBL9424951 1.00 FAAH (0.53) FAAHHSD17B10TSHRRARBALDH1A1
SCHEMBL9061391 1.00 FAAH (0.53) FAAHHSD17B10TSHRRARBALDH1A1
SCHEMBL9425192 1.00 FAAH (0.53) FAAHHSD17B10TSHRRARBALDH1A1
SCHEMBL9425365 1.00 FAAH (0.53) FAAHHSD17B10TSHRRARBALDH1A1
SCHEMBL9061958 0.98 FAAH (0.50) FAAHHSD17B10TSHRRARBALDH1A1
SCHEMBL9061129 0.98 FAAH (0.50) FAAHHSD17B10TSHRRARBALDH1A1
SCHEMBL8990797 0.97 FAAH (0.49) FAAHHSD17B10TSHRRARBALDH1A1
SCHEMBL8990703 0.97 FAAH (0.49) FAAHHSD17B10TSHRRARBALDH1A1
SCHEMBL20746961 0.95 FAAH (0.57) FAAHHSD17B10TSHRALDH1A1MEN1
SCHEMBL28264047 0.95 FAAH (0.57) FAAHHSD17B10TSHRALDH1A1MEN1

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
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
US-5324449-A Substituted phenyl trifluoromethyl ethers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-06-28 US disclosed
EP-0334911-B1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK PATENT GmbH (DE) 1993-02-10 EP disclosed
EP-0334911-A1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK PATENT GmbH (DE) 1989-10-04 EP disclosed
CN-1032435-A The phenyl trifluoromethyl ethers that replaces MERCK PATENT GMBH (DE) 1989-04-19 CN disclosed