SCHEMBL9538478

SCHEMBL9538478

CC(C)Cc1ccc(C(=O)N(Cc2cccc(C(=O)Oc3ccccc3)c2)c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 6/20 0.53
▸ ALOX5 P09917 6/20 0.53
▸ LTC4S Q16873 1/20 0.50
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.44
▸ PDK1 Q15118 5/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ STAT3 P40763 2/20 0.41
▸ PDK2 Q15119 2/20 0.41
▸ PDK4 Q16654 2/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PPARG P37231 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
SCHEMBL9368612 0.99 PTGES (0.52) PTGESALOX5LTC4SNPC1RAB9A
SCHEMBL9369194 0.94 NPC1 (0.49) PTGESALOX5LTC4SNPC1RAB9A
SCHEMBL9368458 0.92 PTGES (0.45) PTGESALOX5LTC4SNPC1RAB9A
SCHEMBL9541373 0.88 SLC7A5 (0.52) PTGESALOX5LTC4SNPC1RAB9A
SCHEMBL9541159 0.87 SLC7A5 (0.50) PTGESALOX5LTC4SNPC1RAB9A
SCHEMBL9538619 0.86 NR3C1 (0.46) PTGESALOX5KMT2AMEN1PPARG
SCHEMBL9372894 0.86 PTGES (0.55) PTGESALOX5LTC4SNPC1RAB9A
SCHEMBL9372874 0.86 PTGES (0.55) PTGESALOX5LTC4SNPC1NR1H4
SCHEMBL9369224 0.82 ACACB (0.46) KMT2A
SCHEMBL1789016 0.82 MAPT (0.51) KMT2A

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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