SCHEMBL8733682

SCHEMBL8733682

C=CC(CCCC)N(C=O)C(C=C)CCCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
CYP3A4 P08684 1/20 0.30
FDPS P14324 1/20 0.30
DNM1 Q05193 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
SCHEMBL8735555 0.92 ADH1C (0.40) TSHRADH1BADH1CADH1AADH4
SCHEMBL8732238 0.87 ALOX15 (0.31) TSHR
SCHEMBL2364670 0.78 TSHR (0.36) TSHRSMN1; SMN2ALDH1A1CYP3A4FDPS
SCHEMBL8736787 0.78
SCHEMBL9418808 0.76 ADH1C (0.39) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL5178163 0.72 TSHR (0.38) TSHRSMN1; SMN2FDPS
SCHEMBL8751663 0.72 CA2 (0.39) TSHR
SCHEMBL9418798 0.72 ADH1C (0.39) TSHRADH1BADH1CADH1AADH4
SCHEMBL277018 0.71 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1ADH1BADH1C
SCHEMBL21771359 0.69 ALDH1A1 (0.30) TSHRALDH1A1

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
EP-0825206-A1 Thermoplastic resin composition and compatibilizing agent used therein DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1998-02-25 EP disclosed