SCHEMBL9286605

SCHEMBL9286605

C=CCOC(=S)CC(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PLOD2 O00469 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
SCHEMBL3333968 0.81 TDP1 (0.42) MAPTCACNA1BAPBA1CYP3A4TDP1
SCHEMBL9251998 0.75 MAPT (0.39) MAPTCACNA1BAPBA1CYP3A4TDP1
SCHEMBL8988263 0.71 FAAH (0.37) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL1082749 0.71 CYP3A4 (0.41) MAPTCACNA1BAPBA1CYP3A4TDP1
SCHEMBL4864146 0.71 CYP3A4 (0.32) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL11668025 0.70 MAPT (0.36) MAPTCACNA1BAPBA1CYP3A4TDP1
SCHEMBL28761387 0.70 CYP3A4 (0.39) MAPTCACNA1BAPBA1CYP3A4TDP1
SCHEMBL28427366 0.70 CYP3A4 (0.39) MAPTCACNA1BAPBA1CYP3A4TDP1
SCHEMBL11444238 0.70 CYP3A4 (0.39) MAPTCACNA1BAPBA1CYP3A4TDP1
SCHEMBL29506833 0.70 CYP3A4 (0.39) MAPTCACNA1BAPBA1CYP3A4TDP1

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-0496720-B1 Process for producing hemiketals and hemithioketals ROHM & HAAS (US) 1995-04-12 EP disclosed
EP-0496720-A1 Process for producing hemiketals and hemithioketals ROHM AND HAAS COMPANY (US) 1992-07-29 EP disclosed
US-5113008-A Process for producing hemiketals and hemithioketals MONSANTO COMPANY (US) 1992-05-12 US disclosed