SCHEMBL8517432

SCHEMBL8517432

O=C[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
CCR2 P41597 2/20 0.37
ESR2 Q92731 2/20 0.36
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
USP5 P45974 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HCRTR2 O43614 3/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRL1 P41146 2/20 0.33

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
SCHEMBL9312459 1.00 USP30 (0.39) USP30CCR2ESR2DGAT1SOAT1
SCHEMBL4931479 0.91 USP30 (0.38) USP30CCR2ESR2USP5HDAC6
SCHEMBL4931475 0.91 USP30 (0.38) USP30CCR2ESR2USP5HDAC6
SCHEMBL8517594 0.87 OPRL1 (0.36) ESR2DGAT1CYP2C9OPRL1
SCHEMBL9313677 0.87 OPRL1 (0.36) ESR2DGAT1CYP2C9OPRL1
SCHEMBL2272516 0.86 USP5 (0.37) USP30CCR2ESR2USP5HDAC6
SCHEMBL2272518 0.86 USP5 (0.37) USP30CCR2ESR2USP5HDAC6
SCHEMBL8451674 0.86 USP5 (0.37) USP30CCR2ESR2USP5HDAC6
SCHEMBL2272522 0.86 USP5 (0.37) USP30CCR2ESR2USP5HDAC6
SCHEMBL8517389 0.85 ESR2 (0.36) USP30CCR2ESR2DGAT1SOAT1

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-0475273-B1 Liquid crystal mixture containing halogenated alcenyl compounds MERCK PATENT GMBH (DE) 1999-04-07 EP disclosed
US-5292452-A Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed