SCHEMBL7794181

SCHEMBL7794181

CCC=CCC1CCC(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ESR2 Q92731 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
GRM2 Q14416 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL4921301 1.00 KDM1A (0.45) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL4932358 1.00 KDM1A (0.45) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL4932360 1.00 KDM1A (0.45) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL4929040 1.00 KDM1A (0.45) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL9062385 0.86 KDM1A (0.48) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL9062391 0.86 KDM1A (0.48) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL8835178 0.83 KDM1A (0.39) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL9061313 0.82 L3MBTL1 (0.45) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL6335424 0.82 KDM1A (0.45) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL3437339 0.82 KDM1A (0.45) KDM1ARCOR1L3MBTL1TSHREPHX2

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-20010015422-A1 Phenylcyclohexanes and a liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2001-08-23 US disclosed