SCHEMBL9711533

SCHEMBL9711533

COc1cccc(C(=O)C2C(=O)CC(c3ccccc3)NC2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
PARP1 P09874 1/20 0.41
KDM2B Q8NHM5 3/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9711474 0.86 HSD11B1 (0.42)
SCHEMBL9711470 0.85 EPHX1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2PARP1
SCHEMBL9711454 0.84 MAPT (0.44) HTTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL9711528 0.82 F2RL1 (0.42) NPC1RAB9AHTTKMT2ASMN1; SMN2
SCHEMBL9711523 0.82 SLC6A3 (0.40) KMT2APARP1KDM2BALDH1A1
SCHEMBL9711648 0.80 CES2 (0.43) CES2HTTKMT2ASMN1; SMN2KCNK3
SCHEMBL9711582 0.79 LMNA (0.49) CES2CES1HTTKMT2ASMN1; SMN2
SCHEMBL9711510 0.78 MAPT (0.43) NPC1RAB9AHTTKMT2ASMN1; SMN2
SCHEMBL9711698 0.78 KMO (0.43) TSHR
SCHEMBL9711787 0.78 LDHA (0.41) NPC1RAB9AHTTSMN1; SMN2KDM2B

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