SCHEMBL11615971

SCHEMBL11615971

CC(C)=CCC[C@@H](C)CC/C=C(\C)C=O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.61
ALDH1A1 P00352 3/20 0.61
TSHR P16473 1/20 0.50
USP2 O75604 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
NFE2L2 Q16236 1/20 0.39
GGPS1 O95749 2/20 0.38
FDPS P14324 2/20 0.38

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
SCHEMBL9613594 1.00 ALOX15 (0.61) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL11744229 1.00 ALOX15 (0.61) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL9609504 1.00 ALOX15 (0.61) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL14549209 0.88 ALOX15 (0.52) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL1784119 0.86 ALOX15 (0.44) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL1784117 0.86 ALOX15 (0.44) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL10048651 0.86 ALOX15 (0.64) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL12654601 0.86 ALOX15 (0.44) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL1783447 0.83 ALOX15 (0.41) ALOX15ALDH1A1TSHRUSP2
SCHEMBL1783445 0.83 ALOX15 (0.41) ALOX15ALDH1A1TSHRUSP2

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-4123465-A SELECTIVE HYDROGENATION CATALYSTS HOFFMANN-LA ROCHE INC. (US) 1978-10-31 US disclosed
US-4115417-A ENANTIOSELECTIVITY HOFFMANN-LA ROCHE INC. (US) 1978-09-19 US disclosed