SCHEMBL9516420

SCHEMBL9516420

C=CCC(C=O)CCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
FAAH O00519 1/20 0.38
FFAR1 O14842 3/20 0.36
FFAR4 Q5NUL3 2/20 0.36
TRPA1 O75762 1/20 0.36
DDAH1 O94760 1/20 0.36
GAPDH P04406 1/20 0.36
MAPT P10636 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
FDPS P14324 3/20 0.35
PLA2G2C Q5R387 1/20 0.35
ALDH1A1 P00352 1/20 0.34
EPHX1 P07099 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
SCHEMBL2357535 0.98 TSHR (0.54) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL1883787 0.92 TSHR (0.61) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL24695983 0.83 TSHR (0.56) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL1399295 0.83
SCHEMBL9396374 0.83 TSHR (0.65) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL9395677 0.83 TSHR (0.65) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL17062948 0.83 TSHR (0.65) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL9714695 0.83 TSHR (0.65) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL21694562 0.83 TSHR (0.65) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL23851480 0.83 TSHR (0.65) TSHRSMN1; SMN2ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0380589-B1 PROCESSES FOR PREPARING ALKYLENE AND DIALKYL KETALS AND ALKYL ALPHA-ENOL ETHERS OF ALPHA-ACETYL CINNAMIC ACIDS OR ESTERS THEREOF EASTMAN KODAK CO (US) 1993-12-29 EP claimed
US-3992392-A Synthesis of indoles from anilines and intermediates therein THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-11-16 US claimed