SCHEMBL9747460

SCHEMBL9747460

[CH2]CCCC#CC(=O)OCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
NAAA Q02083 1/20 0.44
EPHX1 P07099 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTPN7 P35236 3/20 0.39
HMGCR P04035 1/20 0.39
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL9746625 0.91 TSHR (0.41) TSHRNAAAEPHX1CA12CA1
SCHEMBL4229900 0.88 NAAA (0.47) TSHRNAAAEPHX1CA12CA1
SCHEMBL9747319 0.84 FAAH (0.39) TSHRNAAAEPHX1PTPN7HMGCR
SCHEMBL8163468 0.83 ALDH1A1 (0.48) TSHRNAAAEPHX1CA12CA1
SCHEMBL9747585 0.81 FAAH (0.35) TSHRNAAAEPHX1CA12CA1
SCHEMBL2529455 0.80 NAAA (0.59) TSHRNAAAEPHX1CA12CA1
SCHEMBL2946409 0.80 NAAA (0.59) TSHRNAAAEPHX1CA12CA1
SCHEMBL2530636 0.80 NAAA (0.59) TSHRNAAAEPHX1CA12CA1
SCHEMBL2945479 0.80 NAAA (0.59) TSHRNAAAEPHX1CA12CA1
SCHEMBL2530487 0.80 NAAA (0.59) TSHRNAAAEPHX1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0204285-B1 IMIDAZOHETEROCYCLIC COMPOUNDS PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP disclosed
US-4725601-A Certain imidazo[1,2-a]pyridines useful in the treatment of ulcers FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US disclosed
EP-0204285-A1 Imidazoheterocyclic compounds processes for preparation thereof and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-12-10 EP disclosed