SCHEMBL4083443

SCHEMBL4083443

CCCCCCCCCOc1ccc2cc(-c3ccc(CCCCCCCC)cc3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLCO1B3 Q9NPD5 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
RARB P10826 10/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RARA P10276 2/20 0.47
RARG P13631 1/20 0.47
MAPT P10636 1/20 0.47
MTOR P42345 1/20 0.47
PTPN11 Q06124 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
SCHEMBL2790052 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AUSP2LMNA
SCHEMBL31069791 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AUSP2LMNA
SCHEMBL3730616 0.98 MEN1 (0.54) MEN1ALDH1A1KMT2AUSP2LMNA
SCHEMBL12972528 0.93 MEN1 (0.56) MEN1ALDH1A1KMT2AUSP2LMNA
SCHEMBL6851493 0.89 RARB (0.58) CYP3A4RARBTSHRPTPN11
SCHEMBL6853512 0.89 RARB (0.58) CYP3A4RARBTSHRPTPN11
SCHEMBL6851556 0.89 RARB (0.58) CYP3A4RARBTSHRPTPN11
SCHEMBL6853043 0.89 RARB (0.58) CYP3A4RARBTSHRPTPN11
SCHEMBL8375389 0.88 CYP3A4 (0.65) MEN1ALDH1A1KMT2AUSP2LMNA
SCHEMBL10980724 0.88 CYP3A4 (0.65) MEN1ALDH1A1KMT2AUSP2LMNA

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-7550181-B2 Information recording medium DAI NIPPON PRINTING CO., LTD. (JP) 2009-06-23 US claimed