SCHEMBL9509255

SCHEMBL9509255

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 13/20 0.54
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KCNH2 Q12809 1/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ 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
SCHEMBL9508786 0.94 ACACB (0.48) ACACBLMNAKCNH2CYP1A2CYP2D6
SCHEMBL9511342 0.93 ACACB (0.53) ACACBLMNAL3MBTL1KCNH2GAA
SCHEMBL11058060 0.93 LMNA (0.50) ACACBLMNAL3MBTL1KCNH2CYP1A2
SCHEMBL11058066 0.93 LMNA (0.50) ACACBLMNAL3MBTL1KCNH2CYP1A2
SCHEMBL9509403 0.92 ACACB (0.46) ACACBLMNACYP2D6
SCHEMBL9508808 0.92 ACACB (0.52) ACACBLMNAL3MBTL1KCNH2GAA
SCHEMBL10479986 0.91 LMNA (0.49) ACACBLMNAL3MBTL1KCNH2CYP1A2
SCHEMBL10479982 0.91 LMNA (0.49) ACACBLMNAL3MBTL1KCNH2CYP1A2
SCHEMBL9510199 0.91 ACACB (0.51) ACACBLMNAL3MBTL1CYP2D6
SCHEMBL9512430 0.90 ACACB (0.49) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281611-B1 LIQUID CRYSTAL PHASES FOR ELECTRO-OPTIC DISPLAY ELEMENTS BASED ON THE ECB EFFECT MERCK PATENT GMBH (DE) 1993-11-24 — — EP disclosed
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 — — EP disclosed
EP-0281611-A1 LIQUID CRYSTAL PHASES FOR ELECTRO-OPTIC DISPLAY ELEMENTS BASED ON THE ECB EFFECT. MERCK PATENT GMBH (DE) 1988-09-14 — — EP disclosed
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