SCHEMBL9093938

SCHEMBL9093938

CC(C)(C)OC(=O)NCC1Cc2ccc3[nH]c(=O)ccc3c2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ GLA P06280 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NEK1 Q96PY6 1/20 0.36
▸ AR P10275 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CYP3A43 Q9HB55 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ NAMPT P43490 1/20 0.34

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
SCHEMBL9095372 0.82 EPHX2 (0.37) EPHX2KDM4EGLAGAAMAPT
SCHEMBL9096643 0.80 RORC (0.38) EPHX2KDM4EGLAGAAMAPT
SCHEMBL9096581 0.75 CYP1A2 (0.36) CYP2D6CYP2C19DRD2CA12CA1
SCHEMBL15764934 0.74 DRD2 (0.43) EPHX2DRD2NAMPTRORCACACB
SCHEMBL9093943 0.74 AR (0.34) KDM4EAR
SCHEMBL17974445 0.73 DRD2 (0.42) EPHX2RAB9ADRD2NAMPTRORC
SCHEMBL5793270 0.73 DRD2 (0.46) EPHX2GAAHPGDLMNADRD2
SCHEMBL9095407 0.71 ADRB2 (0.36) KDM4EGLAGAAHPGDHSD17B10
SCHEMBL9097387 0.71 ADRB2 (0.41) KDM4EHPGDLMNAHSD17B10ALDH1A1
SCHEMBL9094019 0.70 ADRB2 (0.33) —

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-5576324-A Quinoline derivatives or salt thereof and remedy for cardiac diseases containing the same KOWA CO., LTD. (JP) 1996-11-19 — — US disclosed
EP-0638571-A1 QUINOLINE DERIVATIVE OR SALT THEREOF AND REMEDY FOR CARDIAC DISEASES CONTAINING THE SAME KOWA CO. LTD. (JP) 1995-02-15 — — EP disclosed
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