SCHEMBL14415091

SCHEMBL14415091

CCCCOc1ccc(CCCO/C=C/C(=O)Oc2cc3c4cc(OC(=O)/C=C/OCCCc5ccc(OCCCC)cc5)c(OC(=O)/C=C/OCCCc5ccc(OCCCC)cc5)cc4c4cc(OC(=O)/C=C/OCCCc5ccc(OCCCC)cc5)c(OC(=O)/C=C/OCCCc5ccc(OCCCC)cc5)cc4c3cc2OC(=O)/C=C/OCCCc2ccc(OCCCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SLCO1B3 Q9NPD5 1/20 0.41
▸ SLCO1B1 Q9Y6L6 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL14415077 0.88 HDAC10 (0.42) ALDH1A1LMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL14415086 0.84 MEN1 (0.38) MEN1KMT2AFFAR1
SCHEMBL14415084 0.81 HCAR2 (0.40) THRB
SCHEMBL14415075 0.81 HCAR2 (0.40) THRB
SCHEMBL14415074 0.81 HCAR2 (0.40) THRB
SCHEMBL14282677 0.78 THRB (0.49) THRBALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL14282668 0.78 TP53 (0.41) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL14415092 0.76 ALOX15 (0.42) THRBMEN1KMT2AKDM4E
SCHEMBL14415088 0.75 ALDH1A1 (0.55) ALDH1A1
SCHEMBL7594187 0.75 ABCG2 (0.52) —

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
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