SCHEMBL21361490

SCHEMBL21361490

CCCCNCC1(CC)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.40
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH7 P40394 1/20 0.34
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL27275002 0.83 TSHR (0.34) TSHRALDH1A1
SCHEMBL24715612 0.83 TSHR (0.41) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL4747450 0.82 TSHR (0.59) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL20758065 0.77
SCHEMBL25989955 0.77 TSHR (0.46) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL24709870 0.73 TSHR (0.44) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL13660263 0.73 TSHR (0.44) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL24820621 0.72 TSHR (0.35) TSHRALDH1A1
SCHEMBL2532 0.68
SCHEMBL27946380 0.68 TSHR (0.79) TSHRALDH1A1ADH1BADH1CADH1A

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
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 WO disclosed