SCHEMBL3476705

SCHEMBL3476705

CCCCC(C(=O)O)c1cc(C(C)Sc2ccccn2)cc(N2C(=O)CC(S(=O)(=O)O)C2=O)c1C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL4370106 0.93 HSD17B10 (0.32) HSD17B10
SCHEMBL6254352 0.75
SCHEMBL1949104 0.72
SCHEMBL3483237 0.71
SCHEMBL17267279 0.70
SCHEMBL17668001 0.62 MME (0.36) HSD17B10TDP1ALDH1A1
SCHEMBL16047480 0.62 HDAC1 (0.34) ALDH1A1
SCHEMBL17818099 0.62
SCHEMBL6251832 0.62 MME (0.31)
SCHEMBL11822590 0.62 TDP1 (0.48) HSD17B10TDP1

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-2258724-A1 Modulating immune responses using multimerized anti-CD83 antibodies Celltech R & D, Inc. (US) 2010-12-08 EP disclosed
US-6670322-B2 Covalently bonding a drug such as captopril to a biopolymeric delivery vehicle such as amino-dextrans, and conjugating the prodrug to a botulinum neurotoxin heavy chain; possible treatment for biological warfare exposure of the toxin WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-12-30 US disclosed
US-20030147921-A1 Method of targeting pharmaceuticals to motor neurons NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-08-07 US disclosed