SCHEMBL8670460

SCHEMBL8670460

COCCC1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
P2RY14 Q15391 5/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ESR2 Q92731 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
ADRB3 P13945 2/20 0.37
ADRA2B P18089 2/20 0.37
DRD1 P21728 2/20 0.37
DRD5 P21918 2/20 0.37
ADRA1B P35368 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
IDO1 P14902 1/20 0.37
CYP2C9 P11712 1/20 0.37
CETP P11597 1/20 0.36
KIF11 P52732 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
SCHEMBL8084509 0.96 HTR2C (0.50) HTR2CP2RY14ALDH1A1LMNAMAPT
SCHEMBL8084510 0.96 HTR2C (0.50) HTR2CP2RY14ALDH1A1LMNAMAPT
SCHEMBL8667366 0.87 HTR2C (0.47) HTR2CDGAT1SOAT1P2RY14ESR2
SCHEMBL8095319 0.84 ALDH1A1 (0.54) HTR2CDGAT1SOAT1P2RY14ALDH1A1
SCHEMBL8095323 0.84 ALDH1A1 (0.54) HTR2CDGAT1SOAT1P2RY14ALDH1A1
SCHEMBL9274076 0.82 DRD2 (0.42) DGAT1SOAT1ALDH1A1LMNAMAPT
SCHEMBL9274071 0.82 DRD2 (0.42) DGAT1SOAT1ALDH1A1LMNAMAPT
SCHEMBL11282617 0.82 HTR2C (0.51) HTR2CDGAT1SOAT1P2RY14ALDH1A1
SCHEMBL8072502 0.82 HTR2C (0.51) HTR2CDGAT1SOAT1ALDH1A1LMNA
SCHEMBL8072503 0.82 HTR2C (0.51) HTR2CDGAT1SOAT1ALDH1A1LMNA

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-5811029-A DIELECTRIC ANISOTROPY, CHEMICAL RESISTANCE, STORAGE STABILITY; ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-09-22 US disclosed
US-5389295-A Electrooptic display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
EP-0438575-B1 BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 1994-10-26 EP disclosed
EP-0438575-A1 BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM. MERCK PATENT GMBH (DE) 1991-07-31 EP disclosed
WO-1991002710-A2 BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-07 WO disclosed