SCHEMBL9618072

SCHEMBL9618072

COC(=O)C=CCC(C)CCC=C(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.49
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
USP2 O75604 1/20 0.38
GGPS1 O95749 2/20 0.38
FDPS P14324 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
TSHR P16473 1/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36

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
SCHEMBL8347186 1.00 ALOX15 (0.49) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL9618071 1.00 ALOX15 (0.49) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL11842673 0.89 ALOX15 (0.45) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL11849438 0.89 ALOX15 (0.45) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL11858937 0.88 ALDH1A1 (0.50) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL11858941 0.88 ALDH1A1 (0.50) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL28035603 0.86 ALDH1A1 (0.37) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL10464133 0.85 ALDH1A1 (0.39) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL10464085 0.85 ALDH1A1 (0.36) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL10464084 0.85 ALDH1A1 (0.36) ALOX15ALDH1A1TDP1LMNACYP3A4

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
JP-4316523-A None JP disclosed
JP-H04316523-A OPTICALLY ACTIVE DODECANE DERIVATIVE ASAHI DENKA KOGYO KK 1992-11-06 JP disclosed