SCHEMBL14282677

SCHEMBL14282677

CCCc1ccc(OC/C=C/C(=O)Oc2cc3c4cc(OC(=O)/C=C/COc5ccc(CCC)cc5)c(OC(=O)/C=C/COc5ccc(CCC)cc5)cc4c4cc(OC(=O)/C=C/COc5ccc(CCC)cc5)c(OC(=O)/C=C/COc5ccc(CCC)cc5)cc4c3cc2OC(=O)/C=C/COc2ccc(CCC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ PPARA Q07869 5/20 0.38
▸ PPARG P37231 3/20 0.38
▸ PPARD Q03181 4/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL14282668 0.87 TP53 (0.41) SMN1; SMN2
SCHEMBL14282665 0.87 PLK1 (0.44) ALDH1A1LMNAL3MBTL1NPC1MAPT
SCHEMBL14282666 0.87 POLB (0.42) ALDH1A1LMNANPC1MAPTRAB9A
SCHEMBL14282667 0.84 TP53 (0.48) LMNANPC1SMN1; SMN2
SCHEMBL14282676 0.82 THRB (0.44) THRBALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL14415091 0.78 THRB (0.45) THRBALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL14318647 0.78 AKR1C3 (0.39) LMNAMAPTKMT2APPARAPPARG
SCHEMBL14318648 0.77 ADRB2 (0.35) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14282674 0.77 ALDH1A1 (0.51) THRBALDH1A1L3MBTL1NPC1MAPT
SCHEMBL20024427 0.75 THRB (0.49) THRBALDH1A1LMNAL3MBTL1NPC1

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-7314654-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2008-01-01 — — US disclosed
US-7314654-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2008-01-01 — — US disclosed
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