SCHEMBL16952134

SCHEMBL16952134

CCOc1ccc(Cl)c([CH]O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.45
KMT2A Q03164 3/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ERN1 O75460 1/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
MCL1 Q07820 1/20 0.39
LTA4H P09960 1/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
DPP4 P27487 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL8905764 0.82 NQO1 (0.45) NQO1KMT2AFFAR1FFAR4ERN1
SCHEMBL16953351 0.80 NQO1 (0.46) NQO1KMT2AKDM4ELTA4HMAPT
SCHEMBL16957010 0.79 ERN1 (0.47) KMT2AERN1KDM4EMAPTTDP1
SCHEMBL16950675 0.79 NQO1 (0.45) NQO1KMT2AFFAR1FFAR4KDM4E
SCHEMBL16956494 0.79 NQO1 (0.45) NQO1KMT2AKDM4ELTA4HMAPT
SCHEMBL16956389 0.79 NQO1 (0.45) NQO1KMT2AKDM4ELTA4HMAPT
SCHEMBL16957947 0.79 NQO1 (0.45) NQO1KMT2AKDM4ELTA4HMAPT
SCHEMBL16959701 0.77 HIF1A (0.47) NQO1KMT2AERN1KDM4EMAPT
SCHEMBL16953845 0.77 NQO1 (0.43) NQO1KMT2AKDM4ELTA4HMAPT
SCHEMBL1548013 0.77 KDM4E (0.58) NQO1KMT2AFFAR1FFAR4KDM4E

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed