SCHEMBL9541159

SCHEMBL9541159

COC(=O)c1cccc(CN(C(=O)c2ccc(CC(C)C)cc2)c2ccc(CC(C)C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.50
▸ PTGES O14684 4/20 0.49
▸ ALOX5 P09917 4/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ CYP4F2 P78329 2/20 0.46
▸ CYP4A11 Q02928 2/20 0.46
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LTC4S Q16873 1/20 0.43
▸ NR1H4 Q96RI1 2/20 0.42
▸ FOLH1 Q04609 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL9541373 0.97 SLC7A5 (0.52) SLC7A5PTGESALOX5RAB9AMAPT
SCHEMBL9368860 0.93 SLC7A5 (0.51) SLC7A5PTGESALOX5RAB9AMAPT
SCHEMBL9372770 0.91 SLC7A5 (0.46) SLC7A5PTGESALOX5RAB9AMAPT
SCHEMBL9372894 0.87 PTGES (0.55) PTGESALOX5RAB9AHDAC11HDAC8
SCHEMBL9538478 0.87 PTGES (0.53) PTGESALOX5RAB9ANPC1LTC4S
SCHEMBL9368612 0.86 PTGES (0.52) PTGESALOX5RAB9ASMN1; SMN2NPC1
SCHEMBL9369673 0.85 SLC7A5 (0.44) SLC7A5RAB9AMAPTKDM4EALDH1A1
SCHEMBL9372874 0.85 PTGES (0.55) PTGESALOX5NPC1LTC4SNR1H4
SCHEMBL9369194 0.81 NPC1 (0.49) SLC7A5PTGESALOX5RAB9ANPC1
SCHEMBL9376678 0.81 PTGES (0.47) PTGESALOX5RAB9ANPC1LTC4S

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
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 — — WO disclosed
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