SCHEMBL8018813

SCHEMBL8018813

CC(C)(C)C1(C(=O)O)CC1C(=O)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
SLC6A2 P23975 2/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
ITGA5 P08648 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
SLC6A4 P31645 1/20 0.41
CHRNA3 P32297 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL8008318 0.76 GRM2 (0.52) NPSR1MEN1KMT2AERCC5FEN1
SCHEMBL8020166 0.71 MAPK1 (0.52) NPSR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22209908 0.69 NPSR1 (0.52) NPSR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17398601 0.68 NPSR1 (0.66) NPSR1MEN1KMT2AALDH1A1PARP1
SCHEMBL23931574 0.67 PARP1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL17187940 0.67 PARP1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL54859 0.67 PARP1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL5082350 0.66 NPC1 (0.54) ALDH1A1SMN1; SMN2MAPTERCC5FEN1
SCHEMBL10599818 0.66 ERCC5 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL2165684 0.66 NPSR1 (0.59) NPSR1MEN1KMT2AALDH1A1PARP1

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-0973720-A1 2-SUBSTITUTED BENZOYL-CYCLOALKYL-1-CARBOXYLIC ACID DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-01-26 EP disclosed
WO-1998040344-A1 2-SUBSTITUTED BENZOYL-CYCLOALKYL-1-CARBOXYLIC ACID DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1998-09-17 WO disclosed