SCHEMBL27910264

SCHEMBL27910264

CC(=O)OCCC(C)CC1C=CCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ CHRNB3 Q05901 1/20 0.35
▸ CHRNA6 Q15825 1/20 0.35
▸ MAPT P10636 1/20 0.31
▸ SLC18A3 Q16572 1/20 0.30

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
SCHEMBL10179480 0.78 ALDH1A1 (0.51) ALOX15ALDH1A1USP2TDP1CHRNB2
SCHEMBL28208217 0.74 ALDH1A1 (0.46) ALOX15ALDH1A1USP2TDP1CHRNB2
SCHEMBL25562 0.73 ALOX15 (0.47) ALOX15ALDH1A1
SCHEMBL25303 0.72 ALOX15 (0.46) ALOX15
SCHEMBL19259369 0.72 ALDH1A1 (0.43) ALOX15ALDH1A1USP2TDP1CHRNB2
SCHEMBL13358801 0.71 USP2 (0.41) ALOX15ALDH1A1USP2TDP1CHRNB2
SCHEMBL7552905 0.71 ALOX15 (0.70) ALOX15ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL23005511 0.70 USP2 (0.36) ALOX15ALDH1A1USP2TDP1CHRNB2
SCHEMBL11619041 0.69 ALOX15 (0.58) ALOX15ALDH1A1USP2TDP1CHRNB2
SCHEMBL14287526 0.68 — —

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
CN-103210074-A Synthesis of a novel odorant VAZE KEDAR RAMESH 2013-07-17 — — CN claimed
CN-103210074-A Synthesis of a novel odorant VAZE KEDAR RAMESH 2013-07-17 — — CN disclosed
Send feedback