SCHEMBL27680085

SCHEMBL27680085

Cc1[nH]cc(C(=O)O)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ HTT P42858 2/20 0.45
▸ FABP4 P15090 1/20 0.44
▸ PRKAB2 O43741 2/20 0.43
▸ PRKAG1 P54619 2/20 0.43
▸ PRKAA2 P54646 2/20 0.43
▸ PRKAA1 Q13131 2/20 0.43
▸ PRKAG3 Q9UGI9 2/20 0.43
▸ PRKAG2 Q9UGJ0 2/20 0.43
▸ PRKAB1 Q9Y478 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HNF4A P41235 1/20 0.42
▸ GFER P55789 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ PIN1 Q13526 1/20 0.41

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
SCHEMBL10462527 0.88 CSNK2A1 (0.47) KDM4EHTTFABP4PRKAB2PRKAG1
SCHEMBL10460640 0.77 HTT (0.39) KDM4EHTTLMNAALDH1A1MAPT
SCHEMBL6922777 0.76 KDM4E (0.52) KDM4EHTTALDH1A1MAPTTDP1
SCHEMBL8740901 0.74 AKT2 (0.45) HTTLMNAALDH1A1MAPTALOX15
SCHEMBL10941063 0.74 ALDH1A1 (0.47) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7434700 0.74 CLEC4M (0.54) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL23146830 0.74 KDM4E (0.49) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL9459084 0.72 HTT (0.50) HTTLMNAALDH1A1MAPTALOX15
SCHEMBL547358 0.71 NOTUM (0.50) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL27458636 0.71 TTR (0.59) KDM4EHTTFABP4ALDH1A1HNF4A

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
CN-117964684-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 — — CN disclosed
CN-117964683-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 — — CN disclosed
CN-101054379-A Pyrrole substituted pyrimidinone derivative, preparation method and use thereof in medicine SHANGHAI HENGRUI MEDICINE CO L (CN) 2007-10-17 — — CN disclosed
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