SCHEMBL11501579

SCHEMBL11501579

CC(C)=CCCC(C)CCNC(C)(C)CO

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.36
GGPS1 O95749 2/20 0.36
FDPS P14324 2/20 0.36
TSHR P16473 1/20 0.35
NFE2L2 Q16236 1/20 0.32
GLA P06280 1/20 0.31
EPHX2 P34913 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
SCHEMBL5654292 0.74 ALOX15 (0.61) ALOX15ALDH1A1TDP1USP2GGPS1
SCHEMBL11501604 0.74 LMNA (0.46) ALOX15ALDH1A1
SCHEMBL1245131 0.73
Citronellol SCHEMBL301394 0.72 ALOX15 (1.00) ALOX15ALDH1A1TDP1USP2GGPS1
Citronellol SCHEMBL21320 0.72 ALOX15 (1.00) ALOX15ALDH1A1TDP1USP2GGPS1
Citronellol SCHEMBL18301310 0.72 ALOX15 (1.00) ALOX15ALDH1A1TDP1USP2GGPS1
(+)-Citronellol SCHEMBL21321 0.72 ALOX15 (1.00) ALOX15ALDH1A1TDP1USP2GGPS1
Citronellol SCHEMBL1871004 0.72 ALOX15 (1.00) ALOX15ALDH1A1TDP1USP2GGPS1
SCHEMBL19124975 0.72 ALDH1A1 (0.37) ALDH1A1TSHR
Citronellol SCHEMBL11351853 0.70 ALOX15 (0.95) ALOX15ALDH1A1TDP1USP2GGPS1

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-4174406-A Terpenylaminoalkanol fish toxicants SCM CORPORATION (US) 1979-11-13 US disclosed