SCHEMBL9711787

SCHEMBL9711787

COc1ccccc1C(=O)C1C(=O)CC(c2ccccc2)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.41
PIN1 Q13526 1/20 0.41
PKM P14618 1/20 0.39
KDM2B Q8NHM5 2/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CTSD P07339 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9711595 0.87 HCRTR1 (0.40) LDHAMAPTTSHRHTT
SCHEMBL9711658 0.85 HSD11B1 (0.40) LDHA
SCHEMBL9711646 0.84 ITGB1 (0.42) LDHASMN1; SMN2ALDH1A1
SCHEMBL9711543 0.82 LDHA (0.44) LDHARAB9ASMN1; SMN2ALDH1A1
SCHEMBL9711629 0.81 ALDH1A1 (0.38) LDHASMN1; SMN2ALDH1A1
SCHEMBL9711557 0.81 ALDH1A1 (0.39) LDHASMN1; SMN2ALDH1A1
SCHEMBL9711577 0.81 SMN1; SMN2 (0.37) LDHASMN1; SMN2ALDH1A1
SCHEMBL6607989 0.79 LDHA (0.43) LDHAPOLBSMN1; SMN2TSHR
SCHEMBL9711454 0.79 MAPT (0.44) LDHASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL9711749 0.78 LMNA (0.38) SMN1; SMN2ALDH1A1MAPT

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
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed