SCHEMBL5709003

SCHEMBL5709003

[CH]C1C(C)C=C(C)CC1C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 2/20 0.40
APOBEC3G Q9HC16 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
NOS3 P29474 1/20 0.30
NOS2 P35228 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
SCHEMBL717531 0.79
SCHEMBL6905578 0.75
SCHEMBL719071 0.75 ALDH1A1 (0.42) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL21937193 0.71 APOBEC3A (0.40) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL14215599 0.71 APOBEC3A (0.40) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL1172087 0.71 APOBEC3A (0.40) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL12867066 0.71 APOBEC3A (0.40) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL12867362 0.71 APOBEC3A (0.40) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL24496767 0.67 ALDH1A1 (0.40) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL456066 0.67 ALDH1A1 (0.40) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB

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-1725515-A1 3-(2-ALKOXYCARBONYLOXY-PHENYL)ACRYLIC ACID ESTERS AND THEIR USE AS PRECURSORS FOR THE DELIVERY OF OLFACTORY COMPOUNDS Givaudan SA (CH) 2006-11-29 EP disclosed
WO-2005077881-A1 3-(2-ALKOXYCARBONYLOXY-PHENYL) ACRYLIC ACID ESTERS AND THEIR USE AS PRECURSORS FOR THE DELIVERY OF OLFACTORY COMPOUNDS GIVAUDAN SA (CH) 2005-08-25 WO disclosed