SCHEMBL10892181

SCHEMBL10892181

[CH2]CC#CCCCCCCCCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.47
MAOA P21397 1/20 0.45
NAAA Q02083 3/20 0.44
MIF P14174 1/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL10894556 1.00 SIGMAR1 (0.47) SIGMAR1MAOANAAAMIFMAPT
SCHEMBL10892521 0.98 MAOA (0.47) SIGMAR1MAOANAAAMIFMAOB
SCHEMBL6256644 0.84 FFAR1 (0.43) SIGMAR1MAOAMIFMAOB
SCHEMBL10895799 0.82 SIGMAR1 (0.48) SIGMAR1MAOANAAAMIFMAPT
SCHEMBL28811665 0.82 SIGMAR1 (0.48) SIGMAR1MAOANAAAMIFMAPT
SCHEMBL10894502 0.80 SIGMAR1 (0.44) SIGMAR1MAOANAAAMIFMAPT
SCHEMBL6014561 0.78 MAOA (0.52) SIGMAR1MAOANAAAMIFMAPT
SCHEMBL6014606 0.78 MAOA (0.52) SIGMAR1MAOANAAAMIFMAPT
SCHEMBL5966248 0.77 GRM5 (0.50) SIGMAR1MAOAMIFMAOB
SCHEMBL10372710 0.76 KCNH2 (0.44) SIGMAR1MAOAMAOB

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
US-4605645-A ANTITUMOR AGENTS TEIJIN LIMITED (JP) 1986-08-12 US disclosed
EP-0081386-B1 5-FLUORO-2'-DEOXYURIDINE DERIVATIVES AND A PROCESS FOR THE PREPARATION THEREOF TEIJIN LIMITED (JP) 1985-05-29 EP disclosed
EP-0081386-A1 5-Fluoro-2'-deoxyuridine derivatives and a process for the preparation thereof TEIJIN LIMITED (JP) 1983-06-15 EP disclosed