SCHEMBL1865865

SCHEMBL1865865

CC(C)=CCCC(C)=CCOC=O.CC(C)=CCCC(C)=CCOC=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
ALOX15 P16050 3/20 0.61
KMT2A Q03164 3/20 0.56
FNTA P49354 5/20 0.53
FNTB P49356 3/20 0.53
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPT P10636 2/20 0.50
PGGT1B P53609 2/20 0.50
UGT1A1 P22309 1/20 0.50
GGPS1 O95749 1/20 0.49
SQLE Q14534 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL1865864 1.00 ALDH1A1 (0.61) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL2822047 1.00 ALDH1A1 (0.61) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL226426 1.00 ALDH1A1 (0.61) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL226427 1.00 ALDH1A1 (0.61) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL3031314 0.98 ALDH1A1 (0.59) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL17189797 0.98 ALDH1A1 (0.59) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL14467010 0.98 ALDH1A1 (0.59) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL9784594 0.98 ALDH1A1 (0.59) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL9176140 0.98 ALDH1A1 (0.59) ALDH1A1ALOX15KMT2AFNTAFNTB
Benzene SCHEMBL28801026 0.94 ALDH1A1 (0.56) ALDH1A1ALOX15KMT2AFNTAFNTB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed