SCHEMBL9801978

SCHEMBL9801978

CC1(O)OC1c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
HTR2C P28335 3/20 0.44
DRD2 P14416 1/20 0.43
GUSB P08236 1/20 0.43
HTR1A P08908 2/20 0.42
HTR2B P41595 2/20 0.41
HTR2A P28223 1/20 0.41
CHRM2 P08172 1/20 0.41
DRD3 P35462 1/20 0.41
LMNA P02545 1/20 0.40
CES2 O00748 1/20 0.40
MGLL Q99685 1/20 0.40
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39

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
SCHEMBL17684717 0.74 HTR2C (0.45) KDM1ARCOR1HTR2CDRD2HTR1A
SCHEMBL11466477 0.72 HCAR3 (0.41) KDM1AHTR2CGUSBLMNACES2
SCHEMBL10515985 0.72 CHRNA7 (0.44) KDM1ACHRM2
SCHEMBL10518769 0.70 KDM1A (0.49) KDM1ACES2MGLL
SCHEMBL9516589 0.70 KDM1A (0.45) KDM1ARCOR1HTR2CDRD2GUSB
SCHEMBL9516595 0.70 KDM1A (0.45) KDM1ARCOR1HTR2CDRD2GUSB
SCHEMBL11466479 0.69 KDM1A (0.38) KDM1ARCOR1HTR2CDRD2HTR1A
Methyl Alcohol SCHEMBL9419583 0.69 TSHR (0.58) HTR2CHTR2BHTR2ACES2MGLL
SCHEMBL8090368 0.68 GUSB (0.45) KDM1ARCOR1HTR2CGUSBLMNA
SCHEMBL6492774 0.68 HTR1A (0.62) KDM1ARCOR1HTR2CDRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0228045-B1 AROMATIC THIOETHERS CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
US-4785004-A ANTIALLERGENS, ANTIHISTAMINES CIBA-GEIGY CORPORATION (US) 1988-11-15 US disclosed
EP-0228045-A2 Aromatic thioethers CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed