SCHEMBL11636604

SCHEMBL11636604

CCOC(=O)C(C)c1ccc2oc(Cc3ccccc3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.48
FAAH O00519 1/20 0.47
ACSL1 P33121 1/20 0.46
TP53 P04637 3/20 0.46
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL11638254 0.89 MAPT (0.53) RAB9ANPC1LMNAMAPTPOLB
SCHEMBL11638633 0.87 MAOA (0.54) RAB9ANPC1LMNAMAPTFAAH
SCHEMBL11637743 0.85 MAPT (0.42) RAB9ANPC1LMNAMAPTACSL1
SCHEMBL11637249 0.81 LMNA (0.48) RAB9ANPC1LMNAMAPTTP53
SCHEMBL11639076 0.80 MAOA (0.42) RAB9ANPC1LMNAMAPTGAA
SCHEMBL11637580 0.79 MAOA (0.49) LMNAMAPTTP53GAA
SCHEMBL11638918 0.78 MAOA (0.40) RAB9ANPC1LMNAGAA
SCHEMBL11638582 0.77 MAOA (0.51) RAB9ALMNAMAPTFAAHTP53
SCHEMBL11637702 0.77 MAOA (0.66) LMNAMAPTPOLBGAA
SCHEMBL11637527 0.77 MAOA (0.51) LMNAMAPTFAAHTP53POLB

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-4100168-A ANALGESICS, ANTIPYRETIC, ANTIINFLAMMATORY AGENTS LILLY INDUSTRIES LTD. (GB) 1978-07-11 US disclosed