SCHEMBL5002264

SCHEMBL5002264

C=C(CC)C(=O)OC.CC=C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
ALOX15 P16050 1/20 0.31

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
Methacrylic Acid SCHEMBL27490392 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1EGLN1ALOX15
SCHEMBL156658 0.82 HSD17B10 (0.35) ALDH1A1HSD17B10TDP1ALOX15
SCHEMBL1237454 0.82 HSD17B10 (0.35) ALDH1A1HSD17B10TDP1ALOX15
SCHEMBL156661 0.82 HSD17B10 (0.35) ALDH1A1HSD17B10TDP1ALOX15
Acetone SCHEMBL28038069 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1EGLN1
Bicarbonate SCHEMBL28015990 0.82 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1EGLN1
SCHEMBL146425 0.82
SCHEMBL8532495 0.81 TSHR (0.39)
SCHEMBL8161723 0.80 ALDH1A1 (0.65) ALDH1A1HSD17B10TDP1EGLN1
SCHEMBL9329248 0.80 ALDH1A1 (0.65) ALDH1A1HSD17B10TDP1EGLN1

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-7413806-B2 Implant coatings BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-08-19 US disclosed
US-20050123765-A1 Implant coatings BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2005-06-09 US disclosed
WO-2003053218-A2 IMPLANT COATINGS THE UNIVERSITY OF TEXAS HEALTH SCIENCE CENTER AT SAN ANTONIO (US) 2003-07-03 WO disclosed