SCHEMBL11271239

SCHEMBL11271239

CCOC(=O)c1cc(=O)c(Oc2ccc(OC)cc2)co1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.47
PTGS2 P35354 1/20 0.46
POLB P06746 1/20 0.44
APOBEC3A P31941 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
HPGD P15428 4/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL11271259 0.90 AKR1B1 (0.50) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL11261990 0.86 MAOB (0.44) GPR35HPGDMAPTRAB9AKDM4E
SCHEMBL11275408 0.84 HPGD (0.45) POLBHPGDMAPTRAB9AKDM4E
SCHEMBL11274526 0.82 MAPT (0.49) GPR35POLBHPGDMAPTRAB9A
SCHEMBL11269705 0.82 MAPT (0.41) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL11278936 0.80 GPR35 (0.48) GPR35HPGDMAPTRAB9AKDM4E
SCHEMBL11270471 0.79 GPR35 (0.43) GPR35PTGS2HPGDMAPTRAB9A
SCHEMBL11280577 0.79 AKR1B1 (0.43) HPGDMAPTRAB9AKDM4EALDH1A1
SCHEMBL9665289 0.79 NPC1 (0.49) POLBMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL28437380 0.74 NPC1 (0.50) RAB9ANPC1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4364956-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1982-12-21 US disclosed