SCHEMBL12295116

SCHEMBL12295116

CC(=O)C(C)=CCCC(C)CCC=C(C)C

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.61
ALDH1A1 P00352 2/20 0.61
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.41
GGPS1 O95749 2/20 0.41
FDPS P14324 2/20 0.41
NFE2L2 Q16236 1/20 0.39
GLA P06280 2/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL20608606 0.88 ALOX15 (0.52) ALOX15ALDH1A1USP2TSHRTDP1
SCHEMBL11617266 0.86 ALOX15 (0.59) ALOX15ALDH1A1USP2TSHRTDP1
SCHEMBL11616102 0.86 ALOX15 (0.59) ALOX15ALDH1A1USP2TSHRTDP1
SCHEMBL11615163 0.86 ALOX15 (0.59) ALOX15ALDH1A1USP2TSHRTDP1
SCHEMBL2926934 0.86 ALOX15 (0.59) ALOX15ALDH1A1USP2TSHRTDP1
SCHEMBL13604750 0.83 ALOX15 (0.42) ALOX15ALDH1A1USP2TSHRTDP1
SCHEMBL1783667 0.80 KDM1A (0.38) ALOX15ALDH1A1USP2TSHRTDP1
SCHEMBL1783669 0.80 KDM1A (0.38) ALOX15ALDH1A1USP2TSHRTDP1
Citronellol SCHEMBL27677093 0.79 ALOX15 (0.88) ALOX15ALDH1A1USP2TSHRTDP1
SCHEMBL16977250 0.79 ALOX15 (0.61) ALOX15ALDH1A1USP2TSHRTDP1

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-2543437-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2013-01-09 EP disclosed
WO-2011108672-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2011-09-09 WO disclosed