SCHEMBL11264038

SCHEMBL11264038

CC(=O)N1CC1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
TSHR P16473 1/20 0.46
ABCB1 P08183 1/20 0.46
HTR2C P28335 1/20 0.46
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46

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
SCHEMBL7444515 0.88 POLB (0.52) FKBP1AALDH1A1HPGDCHRM2CHRM4
SCHEMBL7444519 0.88 POLB (0.52) FKBP1AALDH1A1HPGDCHRM2CHRM4
SCHEMBL4319926 0.83 FKBP1A (0.68) FKBP1AALDH1A1TSHR
SCHEMBL18711707 0.83 FKBP1A (0.68) FKBP1AALDH1A1TSHR
SCHEMBL5812800 0.83 FKBP1A (0.68) FKBP1AALDH1A1TSHR
SCHEMBL8332542 0.82 FKBP1A (0.51) FKBP1AALDH1A1HPGDABCB1HTR2C
SCHEMBL17896181 0.82 FKBP1A (0.51) FKBP1AALDH1A1HPGDABCB1HTR2C
SCHEMBL17893034 0.82 FKBP1A (0.51) FKBP1AALDH1A1HPGDABCB1HTR2C
SCHEMBL541814 0.81 FKBP1A (0.47) FKBP1AALDH1A1HPGDFABP7FABP5
SCHEMBL7423869 0.81 POLB (0.51) FKBP1AALDH1A1TSHRHTR2C

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-0013790-B1 CLAVULANIC ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1982-09-22 EP disclosed
EP-0013790-A1 Clavulanic acid derivatives, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1980-08-06 EP disclosed