SCHEMBL9005832

SCHEMBL9005832

CC(C)(C)OC(=O)C1CC(C(=O)N2CCCC2)C(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ CASR P41180 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CCKBR P32239 2/20 0.35
▸ PRMT3 O60678 3/20 0.35
▸ KDR P35968 1/20 0.35
▸ CMA1 P23946 3/20 0.35
▸ CTRC Q99895 2/20 0.35
▸ CCR3 P51677 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL9005830 0.88 CASR (0.37) EPHX2CASRCCKBRCCR3NPC1
SCHEMBL9005817 0.84 CA12 (0.38) EPHX2CASRCCKBRNPC1MITF
SCHEMBL9005838 0.81 CASR (0.35) EPHX2CASRCCKBRCMA1CTRC
SCHEMBL5274728 0.81 CASR (0.40) CASRCCKBRNPC1MITFRAB9A
SCHEMBL8871088 0.81 CASR (0.40) CASRCCKBRNPC1MITFRAB9A
SCHEMBL8876778 0.81 CASR (0.40) CASRCCKBRNPC1MITFRAB9A
SCHEMBL7577139 0.81 CASR (0.40) CASRCCKBRNPC1MITFRAB9A
SCHEMBL7572233 0.79 MEN1 (0.42) EPHX2CASRALDH1A1CCKBRNPC1
SCHEMBL5276625 0.79 MEN1 (0.42) EPHX2CASRALDH1A1CCKBRNPC1
SCHEMBL8870860 0.79 CASR (0.42) USP30EPHX2CASRALDH1A1CCKBR

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
EP-0678089-B1 N-ACYL PYRROLIDINES AND DRUGS FOR THE TREATMENT OR PREVENTION OF CHOLECYSTOKININ AND GASTRIN-RELATED DISORDERS RHONE POULENC RORER SA (FR) 1996-10-09 — — EP claimed
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