SCHEMBL3419441

SCHEMBL3419441

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[PH](=O)O[PH](=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 2/20 0.50
KMT2A Q03164 2/20 0.48
FNTA P49354 8/20 0.48
FNTB P49356 6/20 0.48
PGGT1B P53609 3/20 0.46
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
UGT1A1 P22309 1/20 0.44
SQLE Q14534 1/20 0.43

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
SCHEMBL17681470 1.00 ALDH1A1 (0.50) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL4461666 0.89 ALDH1A1 (0.58) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL16664314 0.87 ALDH1A1 (0.56) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL27740873 0.87 ALDH1A1 (0.56) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL29748905 0.85 ALDH1A1 (0.58) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL31166044 0.83 ALDH1A1 (0.51) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL31166045 0.83 ALDH1A1 (0.51) ALDH1A1ALOX15KMT2AFNTAFNTB
Squalene SCHEMBL9405154 0.75 KMT2A (0.77) ALDH1A1ALOX15KMT2AFNTAFNTB
Squalene SCHEMBL9405151 0.75 KMT2A (0.77) ALDH1A1ALOX15KMT2AFNTAFNTB
SCHEMBL9629657 0.74 ALOX15 (0.53) 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
US-7833748-B1 reacting OsKSL11 with a syn-copalyl diphosphate to produce a stemodene; isolation, purification, sequencing, and functional characterization of the class I diterpene synthase sequence OsKSL11 IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-11-16 US disclosed
US-7525016-B1 Identification of syn-copalyl diphosphate synthase IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-04-28 US disclosed