SCHEMBL8795136

SCHEMBL8795136

COc1ccc2[nH]c(C(=O)O)c(C(=O)O)c2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
POLB P06746 4/20 0.43
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
MET P08581 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 10/20 0.40
KMT2A Q03164 10/20 0.40
GAA P10253 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39

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
SCHEMBL19330952 0.85 MEN1 (0.48) MAPTPOLBCDK1CDK2MET
SCHEMBL8794456 0.85 MTNR1A (0.47) MAPTPOLBCA12CA1CA2
SCHEMBL6594503 0.82 MAPT (0.47) MAPTPOLBMETMEN1KMT2A
SCHEMBL19331259 0.75 KDM4E (0.46) MAPTPOLBCDK1CDK2MET
SCHEMBL8586323 0.75 TUBB1 (0.44) MAPTMETMEN1KMT2AKDM4E
SCHEMBL3830749 0.74 MAPT (0.46) MAPTPOLBCA12CA1CA2
Acetic Acid SCHEMBL27315086 0.73 TUBB1 (0.42) MAPTMETMEN1KMT2AKDM4E
SCHEMBL17417733 0.72 PRKAG1 (0.51) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL8564952 0.71 ALDH1A1 (0.61) MAPTCA12CA1CA2CA7
SCHEMBL8794342 0.71 MTNR1A (0.46) MAPTPOLBMEN1KMT2AGAA

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
US-5652239-A TREATMENT OF STROKES, ISCHEMIC ATTACK, ANTAGONISTS OF EXCITATORY AMINO ACIDS GLUTAMATE AND ASPARTATE IMPERIAL CHEMICAL COMPANY (GB) 1997-07-29 US disclosed
EP-0512817-B1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LTD (GB) 1997-02-19 EP disclosed
EP-0512817-A1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LIMITED (GB) 1992-11-11 EP disclosed