SCHEMBL7387232

SCHEMBL7387232

CCC(CC)(C(=O)ON1C(=O)CCC1=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
RGS12 O14924 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 1/20 0.37
HDAC1 Q13547 1/20 0.37
PARL Q9H300 1/20 0.37
CHRM3 P20309 3/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
MGLL Q99685 1/20 0.37
MLNR O43193 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL8102600 0.83 PARL (0.42) ALDH1A1PARLCHRM3CHRM2CHRM1
SCHEMBL22436 0.79 CHRM3 (0.36) GAAPARLCHRM3CHRM2CHRM1
SCHEMBL3686239 0.77 PARL (0.40) ALDH1A1PARLCHRM3CHRM2CHRM1
SCHEMBL7166115 0.75 PARL (0.36) PARLCHRM3MGLLALOX12KCNN4
SCHEMBL31099227 0.74 KCNN4 (0.38) HDAC1PARLMGLLALOX12KCNN4
SCHEMBL705142 0.74 KCNN4 (0.46) GAARGS12APOBEC3AAPOBEC3GALDH1A1
SCHEMBL21447572 0.73 ME2 (0.41) ALDH1A1PARLCHRM3CHRM2CHRM1
SCHEMBL11044343 0.73 MEN1 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL19840559 0.73 MAPT (0.31) MGLL
SCHEMBL8483586 0.73 PIN1 (0.53) ALDH1A1HDAC1CHRM3CHRM2CHRM1

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
US-5281617-A Enzyme inhibitor CORTECH, INC. (US) 1994-01-25 US claimed
US-5281617-A Enzyme inhibitor CORTECH, INC. (US) 1994-01-25 US disclosed