SCHEMBL9368458

SCHEMBL9368458

CC(C)Cc1ccc(CN(C(=O)c2cccc(C(=O)Oc3ccccc3)c2)c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 6/20 0.45
▸ ALOX5 P09917 6/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ STAT3 P40763 3/20 0.42
▸ LTC4S Q16873 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ LTB4R2 Q9NPC1 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 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 0.93 PTGES (0.52) PTGESALOX5NPC1RAB9AMEN1
SCHEMBL9538478 0.92 PTGES (0.53) PTGESALOX5NPC1RAB9AMEN1
SCHEMBL9372770 0.86 SLC7A5 (0.46) PTGESALOX5NPC1RAB9AMEN1
SCHEMBL9369194 0.85 NPC1 (0.49) PTGESALOX5NPC1RAB9AMEN1
SCHEMBL9369252 0.85 ALOX5 (0.48) PTGESALOX5MEN1KMT2ASTAT3
SCHEMBL9538619 0.83 NR3C1 (0.46) PTGESALOX5MEN1KMT2AMAPT
SCHEMBL9368700 0.83 PTPN1 (0.47) ALOX5KMT2AMAPTTDP1
SCHEMBL9541373 0.81 SLC7A5 (0.52) PTGESALOX5NPC1RAB9ALTC4S
SCHEMBL9369224 0.79 ACACB (0.46) KMT2AMAPTTDP1
SCHEMBL1789016 0.78 MAPT (0.51) KMT2AMAPTTDP1

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
EP-0600084-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 — — EP disclosed
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 — — WO disclosed
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