SCHEMBL9046306

SCHEMBL9046306

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
OPRM1 P35372 3/20 0.34
TP53 P04637 2/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 2/20 0.33
P2RX7 Q99572 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL9044861 0.89 ALOX15 (0.41) ALOX15MEN1KMT2APOLBOPRM1
SCHEMBL9044569 0.88 PYGL (0.35) ALOX15MEN1KMT2APOLBLMNA
SCHEMBL9044843 0.88 TP53 (0.40) ALOX15MEN1KMT2APOLBTP53
SCHEMBL9045439 0.85 NPC1 (0.39) ALOX15MEN1KMT2APOLBOPRM1
SCHEMBL6762557 0.81 ALOX15 (0.42) ALOX15MEN1KMT2APOLBOPRM1
SCHEMBL6850976 0.79 ALOX15 (0.40) ALOX15MEN1KMT2APOLBOPRM1
SCHEMBL6771158 0.77 ALOX15 (0.40) ALOX15OPRM1TP53
SCHEMBL9045718 0.75 ALDH1A1 (0.58) MEN1KMT2APOLBLMNA
SCHEMBL9045046 0.74 KMT2A (0.45) KMT2APOLBP2RX7
SCHEMBL9045049 0.74 CYP3A4 (0.37) ALOX15MEN1KMT2AOPRM1TP53

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