SCHEMBL9465164

SCHEMBL9465164

C=CCC(c1ccc(C(=O)Oc2ccc(OCC)c(F)c2F)cc1)[C@H]1CC[C@H](CCCCC)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
TOP2A P11388 1/20 0.32
KMT2A Q03164 3/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
ACACB O00763 1/20 0.30
F11 P03951 1/20 0.30
KLKB1 P03952 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
RXRA P19793 1/20 0.30
HNF4A P41235 1/20 0.30

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
SCHEMBL9465980 0.85 CYP2C9 (0.37) HPGDKMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9465847 0.83 USP30 (0.36) HPGDITGB3ITGA2BALDH1A1
SCHEMBL9465392 0.82 TDP1 (0.34) KMT2AITGB3ITGA2BALDH1A1CYP1A2
SCHEMBL9465838 0.82 LSS (0.34) ITGB3ITGA2BCYP1A2CYP3A4CYP2C19
SCHEMBL9466483 0.82 LSS (0.34) ITGB3ITGA2BCYP1A2CYP3A4CYP2C19
SCHEMBL9466594 0.82 LSS (0.34) ITGB3ITGA2BCYP1A2CYP3A4CYP2C19
SCHEMBL9465509 0.82 LSS (0.34) ITGB3ITGA2BCYP1A2CYP3A4CYP2C19
SCHEMBL9465871 0.82 LSS (0.34) ITGB3ITGA2BCYP1A2CYP3A4CYP2C19
SCHEMBL9465486 0.82 LSS (0.34) ITGB3ITGA2BCYP1A2CYP3A4CYP2C19
SCHEMBL9465266 0.82 THRB (0.41) KMT2AITGB3ITGA2BCYP1A2CYP3A4

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-5204018-A LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1993-04-20 US disclosed