SCHEMBL8628768

SCHEMBL8628768

C=CCOC(=O)[C@@H](N)CSC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.34
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CPB2 Q96IY4 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3637092 0.83 MAPT (0.39) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL3634048 0.83 MAPT (0.39) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL4727588 0.78 ALDH1A1 (0.39) TSHRALDH1A1HSD17B10CPB2
SCHEMBL2286672 0.77 MAPT (0.40) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL2516533 0.77 MAPT (0.40) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL557341 0.77 MAPT (0.35) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL3634453 0.77 GRIK1 (0.41) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL15760500 0.77 SMN1; SMN2 (0.34) TDP1TSHRMAPTCACNA1BAPBA1
Hydrochloric Acid SCHEMBL6573325 0.76 MAPT (0.39) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL8824184 0.76 TSHR (0.43) TDP1TSHRMAPTCACNA1BAPBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728373-A EXHIBITING DEEP SKIN PENETRATION BEIERSDORF AG (DE) 1998-03-17 US claimed
EP-0656774-B1 COSMETIC AND DERMATOLOGICAL SUNSCREEN COMPOSITIONS CONTAINING THIOLS AND/OR THIOL DERIVATES BEIERSDORF AG (DE) 1997-01-22 EP claimed