SCHEMBL2687702

SCHEMBL2687702

CCCCc1ccc(C=Cc2ccc(OCCCCCCCCCCCO)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPK1 P28482 1/20 0.58
CASP1 P29466 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SLCO1B3 Q9NPD5 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58
AHR P35869 1/20 0.51
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
NR5A1 Q13285 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
CHRNA7 P36544 2/20 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
SCHEMBL2687700 1.00 MEN1 (0.58) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL12644372 0.96 MEN1 (0.64) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL26119938 0.91 MEN1 (0.68) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL12214100 0.88 MEN1 (0.60) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL25185077 0.87 ABCG2 (0.67) PPARGMAOBABCG2
SCHEMBL3948759 0.86 MEN1 (0.75) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL6219270 0.86 MEN1 (0.75) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL23266202 0.86 MEN1 (0.75) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL28835278 0.86 MEN1 (0.75) MEN1KMT2AUSP2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8504740 0.85 MEN1 (0.73) MEN1KMT2AUSP2ALDH1A1LMNA

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
US-20120116024-A1 SELF-SUPPORTING THIN POLYMER FILM TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-05-10 US disclosed