SCHEMBL11366405

SCHEMBL11366405

O=C1CC(C2CCCCC2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL13304669 0.98 CYP1A2 (0.40) CYP1A2MAPTALDH1A1CA1CA9
SCHEMBL14303110 0.89 CYP1A2 (0.42) CYP1A2ALDH1A1CA1CA9LMNA
SCHEMBL27256875 0.81 CYP1A2 (0.38) CYP1A2ALDH1A1CA1CA9LMNA
SCHEMBL3876370 0.79 CA1 (0.41) CYP1A2CA1CA9
SCHEMBL8010922 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7221117 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL195524 0.77 MAPT (0.33) MAPTALDH1A1
SCHEMBL29047147 0.74 CA1 (0.62) MAPTALDH1A1CA1CA9LMNA
SCHEMBL29058854 0.74 TSHR (0.38) MAPTALDH1A1LMNATP53TSHR
SCHEMBL6466858 0.74 FKBP4 (0.33) CYP1A2CA1CA9

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
US-4251398-A FOR ENHANCING OTHER ODORS, SCENTING TOILETRIES FIRMENICH SA (CH) 1981-02-17 US disclosed