SCHEMBL9512255

SCHEMBL9512255

CCCCc1ccc(C#Cc2ccc(OCOC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.45
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
CASP1 P29466 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRA P10827 1/20 0.39

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
SCHEMBL9510203 0.95 ALDH1A1 (0.48) ACACBMEN1ALDH1A1LMNAMAPK1
SCHEMBL9508798 0.94 ALDH1A1 (0.50) ACACBMEN1ALDH1A1LMNAMAPK1
SCHEMBL9508794 0.94 ALDH1A1 (0.50) ACACBMEN1ALDH1A1LMNAMAPK1
SCHEMBL874531 0.92 ALDH1A1 (0.47) MEN1ALDH1A1LMNAMAPK1KMT2A
SCHEMBL9512506 0.90 ACACB (0.47) ACACBALDH1A1THRB
Ammonia Solution, Strong SCHEMBL27937161 0.90 ALDH1A1 (0.46) MEN1ALDH1A1LMNAMAPK1KMT2A
SCHEMBL9512385 0.87 ACACB (0.47) ACACBMEN1ALDH1A1LMNAMAPK1
SCHEMBL9509003 0.86 LMNA (0.51) ACACBMEN1ALDH1A1LMNAMAPK1
SCHEMBL9508928 0.86 ACACB (0.50) ACACBMEN1ALDH1A1LMNAMAPK1
SCHEMBL10405439 0.85 ALDH1A1 (0.56) MEN1ALDH1A1LMNAMAPK1KMT2A

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