SCHEMBL8771448

SCHEMBL8771448

C=C[C@H]1CC[C@H](C2CCC(c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP5 P45974 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM1A O60341 2/20 0.33
MAOB P27338 1/20 0.33
USP30 Q70CQ3 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
CCR2 P41597 1/20 0.30
HCRTR2 O43614 1/20 0.30
GRIA4 P48058 1/20 0.30

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
SCHEMBL6453970 1.00 USP5 (0.34) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL2847049 1.00 USP5 (0.34) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL12975983 0.98 USP5 (0.34) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL12975888 0.98 USP5 (0.34) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL17070829 0.95 HTR2A (0.37) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL20219125 0.94 GRIA4 (0.33) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL12975904 0.93 USP5 (0.32) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL12975931 0.93 USP5 (0.32) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL12975873 0.93 USP5 (0.32) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL12975893 0.93 USP5 (0.32) USP5HDAC6HTR2AHTR2CHTR2B

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
EP-0799878-A1 Liquid crystal compositions and liquid crystal display elements containing same Shin-Etsu Chemical Co., Ltd. (JP) 1997-10-08 EP disclosed
US-5185098-A Liquid crystalline mixtures containing 3,4-difluorophenyl-substituted bicyclohexyls HOFFMANN-LA ROCHE INC. (US) 1993-02-09 US disclosed