SCHEMBL28043456

SCHEMBL28043456

[CH2]C(C)(C)Cc1cccc(CN)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.45
▸ ENPP2 Q13822 1/20 0.45
▸ NOS1 P29475 7/20 0.44
▸ NOS2 P35228 7/20 0.44
▸ NOS3 P29474 5/20 0.44
▸ LOXL2 Q9Y4K0 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.42
▸ NCF1 P14598 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL3195964 0.83 PNMT (0.48) PNMTENPP2NOS1NOS2NOS3
SCHEMBL1171504 0.78 ACHE (0.50) ATMTAAR1
SCHEMBL10422276 0.78 LOXL2 (0.71) PNMTENPP2NOS1NOS2NOS3
SCHEMBL36008 0.78 LOXL2 (0.71) PNMTENPP2NOS1NOS2NOS3
SCHEMBL27462487 0.77 ENPP2 (0.47) PNMTENPP2NOS1NOS2NOS3
Propylamine SCHEMBL4356386 0.76 LOXL2 (0.55) PNMTENPP2NOS1NOS2NOS3
SCHEMBL27476979 0.76 KIF11 (0.47) PNMTENPP2NOS1NOS2NOS3
SCHEMBL27794492 0.76 ALDH1A1 (0.45) PNMTENPP2NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL6018896 0.75 LOXL2 (0.67) PNMTENPP2NOS1NOS2NOS3
SCHEMBL29013584 0.75 LOXL2 (0.67) PNMTENPP2NOS1NOS2NOS3

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-105264057-B Spice composition 花王株式会社 2019-04-05 — — CN disclosed
CN-105264057-A Fragrance composition KAO CORP 2016-01-20 — — CN disclosed
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