SCHEMBL9286604

SCHEMBL9286604

C=CCSC(=O)CC(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.32
CES1 P23141 10/20 0.32
PLOD2 O00469 2/20 0.32
CES2 O00748 4/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PLOD3 O60568 1/20 0.31
PLOD1 Q02809 1/20 0.31
PLA2G6 O60733 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL11666762 0.74 ALOX15 (0.37) HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL615589 0.72 FAAH (0.45) FAAHCES1CES2MEN1CYP1A2
SCHEMBL10909168 0.71 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL1151310 0.69
SCHEMBL950500 0.68
SCHEMBL458309 0.68
SCHEMBL8465400 0.67 FAAH (0.43) FAAHCES1PLOD2CES2MEN1
SCHEMBL20905098 0.67 ALDH1A1 (0.40) FAAHCES1PLOD2CES2MEN1
SCHEMBL11875920 0.67
SCHEMBL28325807 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 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