SCHEMBL7666138

SCHEMBL7666138

CCc1ccc2c(c1)CCc1cc(C(F)(F)F)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
S1PR1 P21453 1/20 0.41
TDP2 O95551 1/20 0.41
PDK2 Q15119 1/20 0.39
CETP P11597 1/20 0.39
NOTUM Q6P988 1/20 0.38
DPP7 Q9UHL4 2/20 0.37
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
KCNH2 Q12809 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 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
SCHEMBL7662242 0.87 PDK2 (0.41) MAOAMAOBS1PR1TDP2PDK2
SCHEMBL7661597 0.84 PLK1 (0.39) MAOAMAOBS1PR1TDP2CETP
SCHEMBL7659369 0.83 PLK1 (0.44) MAOAMAOBS1PR1HTR2AHTR2C
SCHEMBL7662259 0.82 PLK1 (0.46) S1PR1HTR2AHTR2CALDH1A1LMNA
SCHEMBL7660282 0.79 GRIN2B (0.45) MAOAMAOBALDH1A1
SCHEMBL7662248 0.79 SRD5A1 (0.42) MAOAMAOBKCNH2NPC1ALDH1A1
SCHEMBL7659930 0.77 KIF11 (0.47) TDP2NOTUMPARP1PARP10HTR2A
SCHEMBL21758076 0.77 RAB9A (0.52) PDK2NPC1ALDH1A1LMNAMAPT
SCHEMBL7664919 0.76 MAOB (0.50) MAOAMAOBPDK2ALDH1A1LMNA
SCHEMBL5683744 0.75 TDP2 (0.45) MAOAMAOBS1PR1TDP2PDK2

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-6495220-B2 WITH POSITIVE DIELECTRIC ANISOTROPY AND FAVORABLE VISCOSITY; THERMAL, LIGHT AND ULTRAVIOLET STABILITY; USE IN PORTABLE TELEPHONES AND NOTEBOOK COMPUTERS CLARIANT INTERNATIONAL LTD. (CH) 2002-12-17 US disclosed
US-20010023935-A1 With positive dielectric anisotropy and favorable viscosity; thermal, light and ultraviolet stability; use in portable telephones and notebook computers CLARIANT INTERNATIONAL LTD. (CH) 2001-09-27 US disclosed