SCHEMBL9220519

SCHEMBL9220519

C[C@H]1CC[C@H](c2ccc(C(F)=C(F)c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.50
ESR2 Q92731 1/20 0.50
HSD11B1 P28845 2/20 0.40
CNR1 P21554 1/20 0.39
LIPE Q05469 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KDM1A O60341 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL31263 0.88 HTR2C (0.61) HTR2CESR2LIPEKDM1A
SCHEMBL13197432 0.88 HTR2C (0.61) HTR2CESR2LIPEKDM1A
SCHEMBL13197433 0.88 HTR2C (0.61) HTR2CESR2LIPEKDM1A
SCHEMBL26480380 0.83 HTR2C (0.56) HTR2CESR2
SCHEMBL4434726 0.83 HTR2C (0.56) HTR2CESR2CNR1LIPEALDH1A1
SCHEMBL11280521 0.83 HTR2C (0.56) HTR2CESR2
SCHEMBL31104 0.82 ESR2 (0.58) ESR2ALDH1A1LMNAMAPT
SCHEMBL1847401 0.79 HTR2C (0.73) HTR2CKDM1A
SCHEMBL17147616 0.78 HTR2C (0.53) HTR2CESR2KDM1A
SCHEMBL19102561 0.78 HTR2C (0.53) HTR2CESR2KDM1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380461-A Trans-dihalogenostilbene compounds and liquid crystal electro-optical devices using them SEIMI CHEMICAL CO., LTD. (JP) 1995-01-10 US disclosed