SCHEMBL3276235

SCHEMBL3276235

CC(C)CCC(Cc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.68
▸ CPA3 P15088 3/20 0.66
▸ FOLH1 Q04609 2/20 0.62
▸ CPA1 P15085 7/20 0.59
▸ CPB1 P15086 1/20 0.59
▸ CPB2 Q96IY4 1/20 0.59
▸ ANPEP P15144 1/20 0.56
▸ RNPEP Q9H4A4 1/20 0.56
▸ DNPEP Q9ULA0 1/20 0.56
▸ SLC1A3 P43003 1/20 0.54
▸ SLC1A2 P43004 1/20 0.54
▸ SLC1A1 P43005 1/20 0.54
▸ MME P08473 1/20 0.51

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
SCHEMBL12494233 0.90 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL19821208 0.90 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL6724759 0.90 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12494053 0.89 CYP1A2 (0.63) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12494703 0.89 CYP1A2 (0.68) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12494839 0.89 CYP1A2 (0.68) CYP1A2CPA3FOLH1CPA1CPB1
Hydrochloric Acid SCHEMBL6717346 0.88 CYP1A2 (0.79) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL23234369 0.88 FOLH1 (0.66) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL5485361 0.86 CYP1A2 (0.63) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12493651 0.85 CYP1A2 (0.74) CYP1A2CPA3FOLH1CPA1CPB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1920042-B1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL AG & CO KGAA (DE) 2010-06-23 — — EP disclosed
EP-1928992-A1 CONSUMER PRODUCTS HAVING VARYING ODORS Henkel AG & Co. KGaA (DE) 2008-06-11 — — EP disclosed
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 — — WO disclosed
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