SCHEMBL18511908

SCHEMBL18511908

CCC1CCC(C2CCC(CCC3CCC(c4ccc(F)c(F)c4)CC3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
ESR2 Q92731 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
USP5 P45974 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TRPV3 Q8NET8 1/20 0.34
USP30 Q70CQ3 1/20 0.34
HCRTR2 O43614 3/20 0.33
CCR2 P41597 1/20 0.33
OPRL1 P41146 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
SCHEMBL12012971 1.00 CYP2C9 (0.38) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL7511645 0.95 CYP2C9 (0.40) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL3437346 0.95 HTR2A (0.37) CYP2C9ESR2USP5HDAC6HTR2A
SCHEMBL7756551 0.95 CYP2C9 (0.40) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL18511910 0.95 HTR2A (0.37) CYP2C9ESR2USP5HDAC6HTR2A
SCHEMBL8452150 0.95 CYP2C9 (0.40) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL5683749 0.95 HTR2A (0.37) CYP2C9ESR2USP5HDAC6HTR2A
SCHEMBL5683754 0.95 HTR2A (0.37) CYP2C9ESR2USP5HDAC6HTR2A
SCHEMBL21581476 0.92 ESR2 (0.41) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL14526609 0.92 CYP2C9 (0.33) CYP2C9ESR2ALDH1A1LMNAMAPT

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-20170045765-A1 LCD DEVICE DIC CORPORATION (JP) 2017-02-16 US disclosed