SCHEMBL9511342

SCHEMBL9511342

CCCOc1ccc(C#Cc2ccc(CC[C@H]3CC[C@H](CC)CC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 15/20 0.53
▸ LMNA P02545 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KCNH2 Q12809 1/20 0.41
▸ GAA P10253 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
SCHEMBL9512380 0.95 ACACB (0.47) ACACBLMNAKCNH2
SCHEMBL9509255 0.93 ACACB (0.54) ACACBLMNAL3MBTL1KCNH2GAA
SCHEMBL9510212 0.92 ACACB (0.46) ACACBLMNA
SCHEMBL9508808 0.91 ACACB (0.52) ACACBLMNAL3MBTL1KCNH2GAA
SCHEMBL9510199 0.90 ACACB (0.51) ACACBLMNAL3MBTL1
SCHEMBL9509348 0.89 ACACB (0.51) ACACB
SCHEMBL10717273 0.89 LMNA (0.46) ACACBLMNAL3MBTL1KCNH2GAA
SCHEMBL10510635 0.88 ACACB (0.44) ACACBLMNAKCNH2
SCHEMBL9508786 0.88 ACACB (0.48) ACACBLMNAKCNH2
SCHEMBL11068933 0.87 KMT2A (0.47) LMNAL3MBTL1KCNH2

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
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 — — EP disclosed
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