SCHEMBL9726224

SCHEMBL9726224

CCCCCN[C@@H](C)[C]=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 10/20 0.39
ADH1B P00325 2/20 0.39
ADH1C P00326 2/20 0.39
ADH1A P07327 2/20 0.39
ADH7 P40394 2/20 0.39
ADH4 P08319 1/20 0.39
PPARA Q07869 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASP2 P42575 1/20 0.34
TP53 P04637 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL9726226 1.00 ALDH1A1 (0.42) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL4543673 1.00 ALDH1A1 (0.42) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL7348833 0.98 EPHX1 (0.43) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL7674469 0.93
SCHEMBL8030867 0.93
SCHEMBL4716785 0.82
SCHEMBL5194477 0.82
SCHEMBL1257120 0.81 ALDH1A1 (0.42) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL7338190 0.80 ALDH1A1 (0.37) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL8707061 0.79 ALDH1A1 (0.40) ALDH1A1TSHREPHX1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116817-A LHRH preparations for intranasal administration SYNTEX (U.S.A.) INC. (US) 1992-05-26 US claimed
EP-0111841-B1 LHRH PREPARATIONS FOR INTRANASAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1987-05-06 EP claimed
US-4476116-A HORMONES; PROTEINS; ENZYMERS SYNTEX (U.S.A.) INC. (US) 1984-10-09 US claimed
EP-0111841-A1 LHRH preparations for intranasal administration SYNTEX (U.S.A.) INC. (US) 1984-06-27 EP claimed
US-5116817-A LHRH preparations for intranasal administration SYNTEX (U.S.A.) INC. (US) 1992-05-26 US disclosed
EP-0111841-B1 LHRH PREPARATIONS FOR INTRANASAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1987-05-06 EP disclosed
US-4476116-A HORMONES; PROTEINS; ENZYMERS SYNTEX (U.S.A.) INC. (US) 1984-10-09 US disclosed
EP-0111841-A1 LHRH preparations for intranasal administration SYNTEX (U.S.A.) INC. (US) 1984-06-27 EP disclosed