SCHEMBL7974931

SCHEMBL7974931

C=CC(=O)CC(=C)C(=O)[SiH3]

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 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
SCHEMBL290398 0.78
SCHEMBL19261728 0.77 ALDH1A1 (0.42) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL1127575 0.77 ALOX15 (0.62) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL2492204 0.75 ALDH1A1 (0.40) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL5445279 0.71 ALDH1A1 (0.42) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL18016418 0.69
SCHEMBL23829724 0.67
SCHEMBL8832223 0.67 ALDH1A1 (0.43) ALDH1A1TSHRALOX15HSD17B10LMNA
SCHEMBL20586584 0.67 ALDH1A1 (0.48) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL415833 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6280760-B1 IMPLANTS HAVING MADE-TO-MEASURE COATING WITH SYNTHESIZED CELL-OR TISSUE-SELECTIVE PEPTIDES WHICH IN VITRO STIMULATE ADHESION OF MAINLY THOSE CELL SPECIES WHICH IN EACH CASE ARE INTENDED TO ACCOMPLISH TISSUE INTEGRATION OF APPROPRIATE BIOMATERIAL MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-08-28 US disclosed