SCHEMBL3363671

SCHEMBL3363671

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

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.30
CYP1A2 P05177 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
SCHEMBL8531998 0.82 HSD17B10 (0.32)
SCHEMBL8534211 0.78
SCHEMBL9190094 0.77 GABRR1 (0.33) GABRR1CYP1A2
Acetic Acid SCHEMBL11131012 0.74 SLC1A3 (0.35)
SCHEMBL20495916 0.74 BLM (0.39) GABRR1CYP1A2
SCHEMBL11956580 0.72 GABRR1 (0.56) GABRR1CYP1A2
SCHEMBL11584815 0.71 TSHR (0.35)
SCHEMBL7523399 0.70 ALDH1A1 (0.43)
SCHEMBL7937143 0.70
SCHEMBL31556479 0.70 ALDH1A1 (0.43)

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
EP-2196525-A1 JASMINUM SAMBAC-LIKE FRAGRANCE COMPOSITION Shiseido Company, Ltd. (JP) 2010-06-16 EP disclosed