SCHEMBL9509428

SCHEMBL9509428

CCCOCCOc1ccc(C#Cc2ccc(CCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.55
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLCO1B3 Q9NPD5 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
APP P05067 12/20 0.49
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL23267296 0.92 LMNA (0.59) ALDH1A1LMNAMEN1USP2CYP3A4
SCHEMBL9509999 0.91 MEN1 (0.61) ACACBALDH1A1LMNAMEN1USP2
SCHEMBL9509238 0.90 ACACB (0.55) ACACBALDH1A1LMNAMEN1USP2
SCHEMBL13433661 0.90 ACACB (0.64) ACACBALDH1A1LMNAL3MBTL1
SCHEMBL9509987 0.89 MEN1 (0.68) ACACBALDH1A1LMNAMEN1USP2
SCHEMBL9512393 0.89 APP (0.50) ACACBALDH1A1LMNAMEN1USP2
SCHEMBL9508839 0.89 ACACB (0.52) ACACBALDH1A1LMNAMEN1USP2
SCHEMBL9511774 0.88 MEN1 (0.70) ACACBALDH1A1LMNAMEN1USP2
SCHEMBL9512214 0.88 MEN1 (0.70) ACACBALDH1A1LMNAMEN1USP2
SCHEMBL9637432 0.86 ACACB (0.56) ACACBALDH1A1LMNAMEN1USP2

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