SCHEMBL9822679

SCHEMBL9822679

C=Cc1ccccc1-c1cccc(C(=O)O)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.59
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALB P02768 1/20 0.44
MMP2 P08253 1/20 0.44
CYP2C9 P11712 2/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.42
HMGB1 P09429 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA9 Q16790 1/20 0.41
NAPRT Q6XQN6 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
SCHEMBL27497610 0.86 CYP2C9 (0.49) HNF4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29444101 0.84 ALDH1A1 (0.52) HNF4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1815797 0.84 ALDH1A1 (0.52) HNF4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5678745 0.82 HNF4A (0.76) HNF4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28253167 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10CYP2C9
SCHEMBL8031425 0.80 HNF4A (0.74) HNF4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10948911 0.80 HNF4A (0.73) HNF4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1646799 0.79 ALDH1A1 (0.51) HNF4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5364053 0.79 CA12 (0.39) HNF4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30259301 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1285818-A Compounds for antemortem diagnosis and in vivo imaging of alzheimer's disease and prevention of amyloid deposition UNIV PITTSBURGH (US) 2001-02-28 CN disclosed
US-5032572-A Drug delivery MEDICAL COLLEGE OF OHIO (US) 1991-07-16 US disclosed
US-4663308-A Method of use of polymers containing cross-linked azo bonds for releasing therapeutic agents into the lower gastrointestinal tract MEDICAL COLLEGE OF OHIO (US) 1987-05-05 US disclosed