SCHEMBL9044843

SCHEMBL9044843

Cc1cc(C)c(CC(=O)NC2(OC(=O)O)CCN(CCC(=O)O)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
S1PR5 Q9H228 7/20 0.38
S1PR1 P21453 3/20 0.37
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
S1PR3 Q99500 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL9046306 0.88 ALOX15 (0.42) TP53ALOX15POLBMEN1KMT2A
SCHEMBL9044691 0.86 POLB (0.38) TP53S1PR5S1PR1RAB9APOLB
SCHEMBL9044569 0.83 PYGL (0.35) ALOX15POLBMEN1KMT2AKDM4E
SCHEMBL6771023 0.83 TP53 (0.43) TP53S1PR5S1PR1ALOX15RAB9A
SCHEMBL6771445 0.80 TP53 (0.40) TP53S1PR5S1PR1ALOX15RAB9A
SCHEMBL9044742 0.80 S1PR5 (0.46) S1PR5S1PR1S1PR3
SCHEMBL9044861 0.77 ALOX15 (0.41) TP53ALOX15POLBMEN1KMT2A
SCHEMBL9045709 0.76 S1PR5 (0.49) S1PR5S1PR1KMT2AALDH1A1
SCHEMBL9044507 0.74 S1PR5 (0.46) S1PR5S1PR1S1PR3
SCHEMBL9045439 0.73 NPC1 (0.39) TP53ALOX15RAB9APOLBMEN1

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-0706527-A1 SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS BAYER AG (DE) 1996-04-17 EP disclosed
WO-1995001358-A1 SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1995-01-12 WO disclosed