SCHEMBL9306415

SCHEMBL9306415

Cc1cc(C(=O)c2ccccc2)c(C)cc1O.O=C(O)CNCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HPGD P15428 4/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
PGR P06401 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
PDE4A P27815 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH1 P35367 1/20 0.41
HTT P42858 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL11483510 0.88 MEN1 (0.53) ALDH1A1MEN1USP2GAAKMT2A
SCHEMBL4400929 0.79 AKR1C3 (0.57) ALDH1A1MEN1USP2GAAKMT2A
SCHEMBL29722775 0.78 LMNA (0.58) ALDH1A1MEN1USP2GAAKMT2A
SCHEMBL11224029 0.78 LMNA (0.58) ALDH1A1MEN1USP2GAAKMT2A
SCHEMBL4444843 0.78 GABRA1 (0.47) ALDH1A1MEN1KMT2AHPGDCYP2C19
SCHEMBL3900335 0.76 ALDH1A1 (0.69) ALDH1A1MEN1USP2GAAKMT2A
SCHEMBL11016647 0.76 HTT (0.56) ALDH1A1MEN1USP2GAAKMT2A
SCHEMBL29530654 0.76 ALDH1A1 (0.58) ALDH1A1MEN1USP2GAAKMT2A
SCHEMBL6459498 0.76 ALDH1A1 (0.58) ALDH1A1MEN1USP2GAAKMT2A
SCHEMBL18311395 0.75 HPGD (0.51) ALDH1A1MEN1USP2GAAKMT2A

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
US-5308754-A Terbium compounds KANKARE JOUKO J 1994-05-03 US disclosed