SCHEMBL9512430

SCHEMBL9512430

CCC[C@H]1CC[C@H](CCc2ccc(C#Cc3ccc(OCC)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 18/20 0.49
▸ NPC1 O15118 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ NLRP3 Q96P20 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ MAOB P27338 1/20 0.41

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
SCHEMBL8448416 0.93 NPC1 (0.47) ACACBNPC1CASP3RAB9ASENP8
SCHEMBL7506463 0.93 NPC1 (0.47) ACACBNPC1CASP3RAB9ASENP8
SCHEMBL9509348 0.91 ACACB (0.51) ACACBMAOB
SCHEMBL10479690 0.91 NPC1 (0.46) ACACBNPC1CASP3RAB9ASENP8
SCHEMBL10479686 0.91 NPC1 (0.46) ACACBNPC1CASP3RAB9ASENP8
SCHEMBL9509311 0.91 ACACB (0.46) ACACBRAB9A
SCHEMBL9509255 0.90 ACACB (0.54) ACACB
SCHEMBL9508786 0.90 ACACB (0.48) ACACBRAB9A
SCHEMBL9511346 0.90 ACACB (0.48) ACACBMAOB
SCHEMBL28027045 0.89 MAOB (0.48) ACACBMAOB

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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