SCHEMBL7668559

SCHEMBL7668559

C=Cc1cc(F)c(-c2ccc(C3CCC(CCCCC)CC3)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.35
SPHK1 Q9NYA1 11/20 0.34
SPHK2 Q9NRA0 7/20 0.33
ESR2 Q92731 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL7666327 1.00 CYP2C9 (0.36) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7665942 0.86 CYP3A4 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7665948 0.86 CYP3A4 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7672080 0.84 CYP2C9 (0.41) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7672072 0.84 CYP2C9 (0.41) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7663362 0.84 CYP2C9 (0.42) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7663355 0.84 CYP2C9 (0.42) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL9251391 0.83 CYP2C9 (0.41) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL9251403 0.83 CYP2C9 (0.41) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL5575083 0.82 CYP2C9 (0.44) CYP2C9MAPTMEN1KMT2AALDH1A1

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-6388146-B1 AROMATIC UNSATURATED NOMONER SHARP KABUSHIKI KAISHA (JP) 2002-05-14 US disclosed