SCHEMBL28063166

SCHEMBL28063166

CC(Cl)Sc1cccc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
APEX1 P27695 1/20 0.51
FOLH1 Q04609 3/20 0.51
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
ENPP2 Q13822 2/20 0.42
KMO O15229 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
UNG P13051 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL6478478 0.86 HSD17B10 (0.63) HSD17B10CYP1A2CYP2C9HPGDAPEX1
SCHEMBL5315788 0.80 CYP1A2 (0.56) HSD17B10CYP1A2CYP2C9HPGDAPEX1
SCHEMBL3934082 0.79 CYP1A2 (0.63) HSD17B10CYP1A2CYP2C9HPGDAPEX1
SCHEMBL6526151 0.76 CYP1A2 (0.59) HSD17B10CYP1A2CYP2C9HPGDAPEX1
SCHEMBL659462 0.76 HSD17B10 (0.70) HSD17B10CYP1A2CYP2C9HPGDAPEX1
SCHEMBL29664414 0.76 HSD17B10 (0.70) HSD17B10CYP1A2CYP2C9HPGDAPEX1
SCHEMBL8712422 0.76 CYP1A2 (0.70) HSD17B10CYP1A2CYP2C9HPGDAPEX1
SCHEMBL29380400 0.75 CYP1A2 (1.00) HSD17B10CYP1A2CYP2C9HPGDAPEX1
SCHEMBL2406839 0.75 CYP1A2 (0.76) HSD17B10CYP1A2CYP2C9HPGDAPEX1
SCHEMBL31383422 0.75 CYP1A2 (0.76) HSD17B10CYP1A2CYP2C9HPGDAPEX1

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
CN-103261170-B Fused heterocyclic compounds and their use for pest control 住友化学株式会社 2016-08-24 CN disclosed