SCHEMBL15876339

SCHEMBL15876339

Cc1c(OC(=O)O)oc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 4/20 0.45
KCNH2 Q12809 1/20 0.44
CA12 O43570 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 2/20 0.43
CA1 P00915 2/20 0.43
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL10873331 0.81 ESR2 (0.44) KDM4EALDH1A1HPGDKMT2ALMNA
SCHEMBL5160745 0.81 HSD17B10 (0.44) KDM4ECA12CA9NPC1HTT
SCHEMBL18920885 0.76 CYP2C9 (0.45) L3MBTL1KDM4ECA12CA9RAB9A
SCHEMBL15619119 0.74 KCNH2 (0.56) L3MBTL1KCNH2RAB9ANPC1HTT
SCHEMBL1860716 0.73 MAOB (0.43) KDM4EHTTALDH1A1HPGDLMNA
SCHEMBL442779 0.73 MCL1 (0.60) L3MBTL1KDM4EKCNH2RAB9ANPC1
Carbamic Acid SCHEMBL27823881 0.71 L3MBTL1 (0.49) L3MBTL1KDM4EKCNH2CA12CA2
Acetic Acid SCHEMBL15653002 0.71 KDM4E (0.66) KDM4ECA12CA9RAB9ANPC1
Hydrochloric Acid SCHEMBL9789912 0.71 MCL1 (0.58) L3MBTL1KDM4EKCNH2RAB9ANPC1
SCHEMBL10604086 0.70 HSD17B10 (0.44) KDM4ECA12CA2CA9NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014111493-A1 SUBSTITUTED BENZIMIDAZOLYL PHOSPHINE COMPOUNDS AND A METHOD FOR DECARBOXYLATING CARBON-CARBON LINKING SALTIGO GMBH (DE) 2014-07-24 WO disclosed
EP-2757106-A1 Substituted benzimidazole phosphine compounds and a method for decarboxylating carbon-carbon bond Saltigo GmbH (DE) 2014-07-23 EP disclosed