SCHEMBL7693172

SCHEMBL7693172

Cc1noc(=O)n1CCCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MAPT P10636 4/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
RGS12 O14924 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PABPC1 P11940 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 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
SCHEMBL12284083 0.89 ALDH1A1 (0.34) MAPTKMT2AALDH1A1HTT
SCHEMBL14446910 0.87 HSD17B10 (0.40) TSHRMAPTKMT2AKDM4EMEN1
SCHEMBL10388579 0.70 MAPT (0.41) TSHRMAPTKMT2AKDM4EMEN1
SCHEMBL7697272 0.70 TEAD3 (0.39) TSHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL2032325 0.67 ALDH1A1 (0.43) TSHRMAPTKMT2AKDM4EMEN1
SCHEMBL25465030 0.65 ALDH1A1 (0.42) TSHRMAPTKMT2AKDM4EMEN1
SCHEMBL13327050 0.65 ALDH1A1 (0.42) TSHRMAPTKMT2AKDM4EMEN1
SCHEMBL9263752 0.63 MAPT (0.47) TSHRMAPTKMT2AKDM4EMEN1
SCHEMBL12060391 0.63 HTT (0.38) MAPTKMT2AKDM4EMEN1RGS12
SCHEMBL9460144 0.60 MAPT (0.48) TSHRMAPTKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344473-B1 NITRIC OXIDE SYNTHASE INHIBITOR G.D. SEARLE & CO. 2002-02-05 US disclosed
US-6136829-A NITRIC OXIDE SYNTHETASE INHIBITORS G.D. SEARLE & CO. (US) 2000-10-24 US disclosed
US-5981556-A USEFUL IN TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, AND ALSO INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, MIGRAINE G.D. SEARLE & CO. (US) 1999-11-09 US disclosed
US-5958958-A ANTIINFLAMMATORY AGENT; HYPOTENSIVE AGENT G.D. SEARLE & CO. (US) 1999-09-28 US disclosed