SCHEMBL9516595

SCHEMBL9516595

CC1(C)[C@H](CO)[C@H]1c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
HTR2C P28335 4/20 0.44
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
DRD2 P14416 1/20 0.41
GUSB P08236 1/20 0.38
CACNA1F O60840 2/20 0.37
CACNA1D Q01668 2/20 0.37
CACNA1S Q13698 2/20 0.37
CACNA1C Q13936 2/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
HTR1A P08908 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
SCHEMBL9516589 1.00 KDM1A (0.45) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL16841701 0.75 ABCB1 (0.43) KDM1AHTR2CHTR2AHTR2BCYP2C19
SCHEMBL6321790 0.74 SLC9A1 (0.51) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL8098006 0.74 SLC9A1 (0.51) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL8098003 0.74 SLC9A1 (0.51) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL21020916 0.74 KDM1A (0.46) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL9377705 0.70 HTR2C (0.47) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL9801978 0.70 KDM1A (0.44) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL4081348 0.70 HTR2C (0.47) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL9821148 0.69 LMNA (0.38) LMNA

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-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed