SCHEMBL25626868

SCHEMBL25626868

CCCCCC1CC[C@H](C)CC1S

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.37
▸ EPHX1 P07099 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ CHRNA4 P43681 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
SCHEMBL10071797 0.79 — —
SCHEMBL31122647 0.74 ALOX5 (0.42) ALOX5EPHX1ALDH1A1CHRNB2CHRNA7
SCHEMBL11903803 0.74 CYP1A2 (0.37) ALOX5
SCHEMBL10486372 0.73 EPHX1 (0.48) ALOX5EPHX1ALDH1A1CHRNB2CHRNA7
SCHEMBL11659426 0.71 EPHX1 (0.52) ALOX5EPHX1ALDH1A1CHRNB2CHRNA7
SCHEMBL11662768 0.71 EPHX1 (0.52) ALOX5EPHX1ALDH1A1CHRNB2CHRNA7
SCHEMBL5604360 0.71 CYP1A2 (0.43) ALOX5EPHX1ALDH1A1
SCHEMBL12166781 0.71 CA1 (0.41) ALOX5
SCHEMBL14549375 0.70 ALOX5 (0.33) ALOX5EPHX1
SCHEMBL28083608 0.70 OPRM1 (0.45) ALOX5EPHX1ALDH1A1

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
EP-3170413-B1 ELECTRONIC SMOKING DEVICE WITH NON-SIMULTANEOUSLY OPERATED HEATING ELEMENTS Fontem Ventures Bv (NL) 2023-06-07 — — EP disclosed
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