SCHEMBL10685447

SCHEMBL10685447

c1ccc2c(-c3ccc4c(c3)CC4)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.47
ACMSD Q8TDX5 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2B6 P20813 1/20 0.43
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
CD274 Q9NZQ7 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8356042 0.93 MCL1 (0.45) MCL1ACMSDHDAC8HDAC6CA12
SCHEMBL3137217 0.85 MCL1 (0.47) MCL1ACMSDHDAC8HDAC6CA12
SCHEMBL29785059 0.85 MCL1 (0.47) MCL1ACMSDHDAC8HDAC6CA12
Ammonia Solution, Strong SCHEMBL29226614 0.84 MCL1 (0.46) MCL1ACMSDHDAC8HDAC6CA12
SCHEMBL10045891 0.83 EDNRB (0.52) MCL1ACMSDHDAC8HDAC6CA12
SCHEMBL25402840 0.82 CD274 (0.61) MCL1ACMSDCD274
SCHEMBL27950640 0.82 MAPT (0.49) MCL1ACMSDHDAC8HDAC6CA12
SCHEMBL3989676 0.82 HSD17B1 (0.51) MCL1ACMSDHDAC8HDAC6CA12
SCHEMBL29732348 0.81 MCL1 (0.47) MCL1ACMSDHDAC8HDAC6CA12
SCHEMBL4895432 0.81 MCL1 (0.47) MCL1ACMSDHDAC8HDAC6CA12

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-4783514-A Polymeric monoarylcyclobutane compositions THE DOW CHEMICAL COMPANY (US) 1988-11-08 US disclosed