SCHEMBL9638745

SCHEMBL9638745

CCCCCCCCCCCCCCCCN=CCCNCCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX1 P07099 2/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
PPARA Q07869 1/20 0.33
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
NAAA Q02083 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR2 O95136 5/20 0.32
S1PR4 O95977 5/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 5/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL910867 1.00 TSHR (0.39) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL11589000 1.00 TSHR (0.39) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL9639674 0.93 FAAH (0.44) PPARAFAAHTRPV1
SCHEMBL924965 0.92 TSHR (0.37) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL16886977 0.80 FAAH (0.46) TSHRALDH1A1PPARAFAAHTRPV1
SCHEMBL24183668 0.79 TSHR (0.44) TSHRFAAHTRPV1NAAAMEN1
SCHEMBL2887421 0.79 TSHR (0.44) TSHRFAAHTRPV1NAAAMEN1
SCHEMBL11760319 0.79 TSHR (0.44) TSHRFAAHTRPV1NAAAMEN1
SCHEMBL24864672 0.79 TSHR (0.44) TSHRFAAHTRPV1NAAAMEN1
SCHEMBL21757397 0.79 TSHR (0.40) TSHRALDH1A1FAAHTRPV1NAAA

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-5143952-A Process for the production of cement-synthetic polymer composite molded bodies OKURA INDUSTRIAL CO., LTD. (JP) 1992-09-01 US disclosed