SCHEMBL7991760

SCHEMBL7991760

COCCOCCOCCOc1ccc(-c2nc(C(=O)O)c(-c3ccc(Cl)cc3)[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
MAPT P10636 8/20 0.43
TP53 P04637 1/20 0.43
CHEK2 O96017 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
DHODH Q02127 1/20 0.41
ACHE P22303 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RARB P10826 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL7991891 1.00 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7977691 0.97 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7989935 0.91 MAPT (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7989419 0.91 MAPT (0.48) MAPTTP53CHEK2MEN1KMT2A
SCHEMBL7977351 0.90 PDE3B (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7991913 0.88 SIRT2 (0.48) MAPTTP53ACHEALDH1A1KDM4E
SCHEMBL7988436 0.88 SIRT2 (0.48) MAPTTP53ACHEALDH1A1KDM4E
SCHEMBL7989696 0.86 ALOX5 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7988460 0.85 ACHE (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7988060 0.84 SIRT2 (0.50) MAPTTP53ACHEALDH1A1KDM4E

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed