SCHEMBL4583053

SCHEMBL4583053

CC1=C(C2C=CC(=O)C2)C(C)(C)CCC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL4843569 0.66 CYP1A2 (0.37) CYP1A2
SCHEMBL8572068 0.66 PLA2G1B (0.34) CYP1A2POLB
SCHEMBL20394615 0.65 CYP1A2 (0.33) CYP1A2
SCHEMBL29132460 0.64 CYP1A2 (0.35) CYP1A2POLB
SCHEMBL5516773 0.61 — —
SCHEMBL2343880 0.60 ALDH1A1 (0.33) CYP1A2
SCHEMBL4495310 0.60 CYP1A2 (0.44) CYP1A2
SCHEMBL1843796 0.59 CYP1A2 (0.39) CYP1A2
SCHEMBL13792960 0.58 — —
SCHEMBL13508673 0.58 — —

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
US-20080032913-A1 Masking of mineral oil odor and fragrancing of mineral oils SYMRISE GMBH & CO. KG (DE) 2008-02-07 — — US claimed
EP-1884555-A2 Masking mineral oil smell and scenting of mineral oils Symrise GmbH & Co. KG (DE) 2008-02-06 — — EP claimed
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