SCHEMBL27954038

SCHEMBL27954038

C=CC(c1cccc(OC)c1)C(C)C=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CASR P41180 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ AOC3 Q16853 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ ACHE P22303 1/20 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
SCHEMBL16870971 0.81 L3MBTL1 (0.46) CHRM2CHRM1CHRM3L3MBTL1SMN1; SMN2
SCHEMBL16871593 0.81 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2POLBMTNR1AMTNR1B
SCHEMBL16871508 0.81 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2POLBMTNR1AMTNR1B
SCHEMBL16871040 0.81 L3MBTL1 (0.46) CHRM2CHRM1CHRM3L3MBTL1SMN1; SMN2
SCHEMBL15026292 0.80 CACNA1B (0.46) SMN1; SMN2
SCHEMBL16871397 0.80 CASR (0.43) CHRM2CHRM1CHRM3L3MBTL1CASR
SCHEMBL16871058 0.80 CASR (0.43) CHRM2CHRM1CHRM3L3MBTL1CASR
SCHEMBL16871463 0.80 L3MBTL1 (0.51) CHRM2CHRM1CHRM3L3MBTL1SMN1; SMN2
SCHEMBL16871416 0.80 L3MBTL1 (0.51) CHRM2CHRM1CHRM3L3MBTL1SMN1; SMN2
SCHEMBL15024190 0.79 BCHE (0.52) SMN1; SMN2

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
CN-102202740-B Perfuming ingredients of the floral and/or anisic type FIRMENICH & CIE 2014-03-26 — — CN disclosed
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