SCHEMBL27499034

SCHEMBL27499034

COc1ccccc1C(=O)OC1CCC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
ATM Q13315 1/20 0.53
SCN1A P35498 3/20 0.52
SCN2A Q99250 3/20 0.52
SCN3A Q9NY46 3/20 0.52
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PIN1 Q13526 1/20 0.48
CTSD P07339 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL22621474 0.97 MEN1 (0.71) MEN1KMT2AATMSCN1ASCN2A
SCHEMBL13377166 0.95 MEN1 (0.69) MEN1KMT2AATMSCN1ASCN2A
SCHEMBL9543892 0.93 KMT2A (0.66) MEN1KMT2AATMSCN1ASCN2A
SCHEMBL28240607 0.86 MEN1 (0.59) MEN1KMT2AATMSCN1ASCN2A
SCHEMBL23275566 0.86 MMP9 (0.53) MEN1KMT2AATMSCN1ASCN2A
SCHEMBL23275563 0.85 MEN1 (0.53) MEN1KMT2AATMSCN1ASCN2A
SCHEMBL27059523 0.82 MEN1 (0.52) MEN1KMT2AATMHTTALDH1A1
SCHEMBL3361977 0.82 MEN1 (0.55) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL30410538 0.81 ATM (0.53) MEN1KMT2AATMSCN1ASCN2A
SCHEMBL5987325 0.81 MEN1 (0.53) MEN1KMT2ASCN1ASCN2ASCN3A

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
CN-1226886-A Arylcycloalkane carboxylic acid esters, their use, pharmaceutical compositions and process for their preparation PHARMACIA & UPJOHN AB (SE) 1999-08-25 CN disclosed