SCHEMBL11735637

SCHEMBL11735637

Oc1cc(O)cc(/C2=C/CCCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.47
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
PSMB5 P28074 3/20 0.37
HDAC3 O15379 2/20 0.37
TDP1 Q9NUW8 1/20 0.35
SERPINE1 P05121 1/20 0.34
BACE1 P56817 1/20 0.33
NQO1 P15559 1/20 0.33
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33
BCR P11274 1/20 0.33
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL11741259 1.00 ACMSD (0.47) ACMSDMEN1KMT2AHDAC1HDAC2
SCHEMBL11735644 1.00 ACMSD (0.47) ACMSDMEN1KMT2AHDAC1HDAC2
SCHEMBL2032639 0.98 ACMSD (0.49) ACMSDMEN1KMT2AHDAC1HDAC2
SCHEMBL2027405 0.91 ACMSD (0.47) ACMSDMEN1KMT2AHDAC1HDAC2
SCHEMBL23466964 0.81 MEN1 (0.54) ACMSDMEN1KMT2AHDAC1HDAC2
SCHEMBL10581819 0.81 MEN1 (0.54) ACMSDMEN1KMT2AHDAC1HDAC2
SCHEMBL11655788 0.81 MEN1 (0.54) ACMSDMEN1KMT2AHDAC1HDAC2
SCHEMBL11655792 0.81 MEN1 (0.54) ACMSDMEN1KMT2AHDAC1HDAC2
SCHEMBL10651703 0.81 NPC1 (0.43) ACMSDMEN1KMT2APSMB5ABL1
SCHEMBL28161071 0.80 BACE1 (0.42) ACMSDBACE1NQO1ABL1ABCB1

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-4054582-A Process for converting cis-hexahydrodibenzo[b,d]pyran-9-ones to trans-hexahydrodibenzo[b,d]-pyran-9-ones ELI LILLY AND COMPANY (US) 1977-10-18 US disclosed