SCHEMBL9646541

SCHEMBL9646541

CCCCC[CH]CCCC(C)Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
TSHR P16473 4/20 0.36
OPRM1 P35372 1/20 0.36
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
DNM1 Q05193 2/20 0.32
THRB P10828 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL9644722 0.93 TSHR (0.35) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8735086 0.89 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10897612 0.89 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL27373801 0.81
SCHEMBL1898465 0.80
SCHEMBL2048482 0.80
SCHEMBL8594244 0.80
SCHEMBL4665554 0.79 TSHR (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2690910 0.79 TSHR (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5459351 0.79 TSHR (0.42) ADH1BADH1CADH1AADH4ADH7

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-5145869-A Treatment of irritable bowel syndrome, dyskinesia, pancreatist; hormone inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1992-09-08 US disclosed