SCHEMBL14415077

SCHEMBL14415077

CCCCOc1ccc(CO/C=C/C(=O)Oc2cc3c4cc(OC(=O)/C=C/OCc5ccc(OCCCC)cc5)c(OC(=O)/C=C/OCc5ccc(OCCCC)cc5)cc4c4cc(OC(=O)/C=C/OCc5ccc(OCCCC)cc5)c(OC(=O)/C=C/OCc5ccc(OCCCC)cc5)cc4c3cc2OC(=O)/C=C/OCc2ccc(OCCCC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ FAAH O00519 3/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ PLA2G4B P0C869 1/20 0.39

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
SCHEMBL14415091 0.88 THRB (0.45) HDAC10HDAC6KDM4ECYP1A2CYP2D6
SCHEMBL14282668 0.80 TP53 (0.41) HDAC10HDAC6KDM4ECYP1A2CYP2D6
SCHEMBL14415074 0.78 HCAR2 (0.40) —
SCHEMBL14415084 0.78 HCAR2 (0.40) —
SCHEMBL14415075 0.78 HCAR2 (0.40) —
SCHEMBL14415088 0.77 ALDH1A1 (0.55) FAAHALDH1A1
SCHEMBL7594181 0.77 ABCG2 (0.52) ABCG2PLA2G4B
SCHEMBL7594187 0.77 ABCG2 (0.52) ABCG2PLA2G4B
SCHEMBL14282667 0.77 TP53 (0.48) SMN1; SMN2FAAHPLA2G4BLMNA
SCHEMBL14415087 0.76 PTGES (0.39) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273641-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2007-09-25 — — US disclosed
US-7273641-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2007-09-25 — — US disclosed
Send feedback