SCHEMBL28860337

SCHEMBL28860337

CCCCCC1CCC(C2CCC(c3ccc(-c4cc(OC)ccc4C(=O)O)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
LTB4R2 Q9NPC1 2/20 0.39
LTB4R Q15722 1/20 0.39
PTPN11 Q06124 3/20 0.39
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
DGAT1 O75907 1/20 0.37
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
P2RY14 Q15391 1/20 0.35
MCL1 Q07820 1/20 0.35
PLK1 P53350 1/20 0.35
PLK3 Q9H4B4 1/20 0.35

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
SCHEMBL9189121 0.87 PTPN11 (0.53) PTPN11RARARARBP2RY14MCL1
SCHEMBL28709974 0.85 PTPN11 (0.51) PTPN11RARARARBP2RY14MCL1
SCHEMBL23354278 0.84 SMN1; SMN2 (0.56) SMN1; SMN2LTB4R2LTB4RCYP2C9ALDH1A1
SCHEMBL29978766 0.84 SMN1; SMN2 (0.56) SMN1; SMN2LTB4R2LTB4RCYP2C9ALDH1A1
SCHEMBL1531814 0.82 S1PR1 (0.37) PTPN11CYP2C9ALDH1A1LMNAMAPT
SCHEMBL1531817 0.82 S1PR1 (0.37) PTPN11CYP2C9ALDH1A1LMNAMAPT
SCHEMBL21321657 0.81 DRD2 (0.40) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19721911 0.81 DRD2 (0.38) CYP2C9ALDH1A1MAPTDGAT1RARB
SCHEMBL10766094 0.81 DRD2 (0.50) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10766092 0.81 DRD2 (0.50) CYP2C9ALDH1A1LMNAMAPT

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
CN-108085021-A Aligning agent for liquid crystal, liquid crystal orientation film, liquid crystal display element and reaction product JSR株式会社 2018-05-29 CN disclosed