SCHEMBL27990669

SCHEMBL27990669

CCCCCCNNCCO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.52
NAAA Q02083 1/20 0.48
EPHX1 P07099 7/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
THRB P10828 1/20 0.42
GBA1 P04062 1/20 0.41

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
SCHEMBL4847963 0.89
SCHEMBL27488609 0.87 CNR1 (0.53) ALDH1A1KMT2AMEN1
SCHEMBL8417919 0.86 EPHX1 (0.61) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL7480205 0.86 EPHX1 (0.61) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL3271857 0.86 EPHX1 (0.61) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL23270896 0.86 EPHX1 (0.61) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL1795309 0.86 EPHX1 (0.61) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL1794993 0.86 EPHX1 (0.61) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL9502118 0.86 EPHX1 (0.61) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL8419933 0.86 EPHX1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104159977-A Thermoplastic resin composition NIPPON NYUKAZAI CO LTD 2014-11-19 CN disclosed