SCHEMBL9550443

SCHEMBL9550443

C=CCc1cc(C(=O)O)ccc1O.[Zn]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
LMNA P02545 1/20 0.60
GABRA1 P14867 2/20 0.59
GABRB2 P47870 2/20 0.59
POLB P06746 3/20 0.56
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
PTGS2 P35354 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL8465492 0.98 HTT (0.61) HTTALDH1A1HPGDLMNAGABRA1
SCHEMBL4943834 0.87 HTT (0.61) HTTALDH1A1HPGDLMNAGABRA1
SCHEMBL4247285 0.84 HTT (0.58) HTTALDH1A1HPGDLMNAGABRA1
SCHEMBL1092424 0.84 HTT (0.71) HTTALDH1A1HPGDLMNAGABRA1
SCHEMBL6477662 0.84 POLB (0.53) HTTALDH1A1HPGDLMNAGABRA1
SCHEMBL10483684 0.83 ELANE (0.59) HTTALDH1A1HPGDLMNAGABRA1
SCHEMBL7058901 0.83 ALDH1A1 (0.45) HTTALDH1A1HPGDLMNAGABRA1
Zinc Ion SCHEMBL9550437 0.83 HTT (0.57) HTTALDH1A1HPGDLMNAGABRA1
SCHEMBL9349415 0.83 HTT (0.57) HTTALDH1A1HPGDLMNAGABRA1
Methane SCHEMBL10483700 0.82 ELANE (0.57) HTTALDH1A1HPGDLMNAGABRA1

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
JP-5194312-A None JP disclosed
JP-H05194312-A ZINC 3-ALKYL @(3754/24)OR ALKENYL)-4-HYDROXYBENZOATE COMPLEX RES INST FOR PROD DEV 1993-08-03 JP disclosed