SCHEMBL5043554

SCHEMBL5043554

CC(C)=CCCC(C)C#CO

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.42
SRC P12931 1/20 0.34
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL11448641 0.76 ALOX15 (0.42) ALOX15ALDH1A1TSHRSRC
SCHEMBL14331466 0.76 ALOX15 (0.48) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL14323435 0.76 ALOX15 (0.48) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL9515041 0.76 ALOX15 (0.48) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL7789930 0.76 ALOX15 (0.48) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL108373 0.71
SCHEMBL214608 0.69
SCHEMBL9175546 0.69
Hydrochloric Acid SCHEMBL7431491 0.69 ALOX15 (0.56) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL195482 0.69

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-1532092-B1 ETHINYLATION PROCESS DSM IP ASSETS BV (NL) 2008-11-05 EP disclosed