SCHEMBL6650197

SCHEMBL6650197

C=C(C(=O)O)c1cncn1C(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.45
GABRA1 P14867 5/20 0.43
GABRB2 P47870 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ABCB11 O95342 1/20 0.43
GABRA2 P47869 1/20 0.43
GPBAR1 Q8TDU6 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL3568945 0.74 ALDH1A1 (0.46) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL6805605 0.72 ALDH1A1 (0.44) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL6804116 0.71 ALDH1A1 (0.43) ALDH1A1TDP1MAPK1GABRA1GABRB2
Hydrochloric Acid SCHEMBL6805332 0.71 ALDH1A1 (0.43) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL7521534 0.71 RAB9A (0.49) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL24967052 0.71 ALDH1A1 (0.78) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL6650195 0.70 ALDH1A1 (0.43) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL7340516 0.69 ALDH1A1 (0.71) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL6806534 0.69 ALDH1A1 (0.41) ALDH1A1TDP1MAPK1GABRA1GABRB2
Hydrochloric Acid SCHEMBL11496011 0.68 ALDH1A1 (0.69) ALDH1A1TDP1MAPK1GABRA1GABRB2

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-0970073-B1 PROCESS FOR PREPARING EPROSARTAN SMITHKLINE BEECHAM CORP (US) 2004-10-27 EP disclosed
EP-0973769-B1 PROCESS FOR PREPARING EPROSARTAN SMITHKLINE BEECHAM CORP (US) 2004-08-25 EP disclosed