SCHEMBL8990042

SCHEMBL8990042

CC(C)(C)OC(=O)N1CC(OS(C)(=O)=O)C[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
UCHL1 P09936 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MCL1 Q07820 4/20 0.36
ATM Q13315 1/20 0.36
HSD11B1 P28845 1/20 0.36
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
NR1H2 P55055 4/20 0.35
NR1H3 Q13133 3/20 0.34

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
SCHEMBL3382551 1.00 HSD17B10 (0.38) HSD17B10UCHL1CHRM2CHRM1CHRM3
SCHEMBL16754873 1.00 HSD17B10 (0.38) HSD17B10UCHL1CHRM2CHRM1CHRM3
SCHEMBL4418512 1.00 HSD17B10 (0.38) HSD17B10UCHL1CHRM2CHRM1CHRM3
SCHEMBL7143154 1.00 HSD17B10 (0.38) HSD17B10UCHL1CHRM2CHRM1CHRM3
SCHEMBL8609251 0.89 MMP2 (0.40) UCHL1CHRM2CHRM1CHRM3CYP1A2
SCHEMBL19910775 0.89 CHRM2 (0.37) UCHL1CHRM2CHRM1CHRM3CYP1A2
SCHEMBL8607697 0.89 MMP2 (0.40) UCHL1CHRM2CHRM1CHRM3CYP1A2
SCHEMBL1155188 0.88 MMP2 (0.38) UCHL1CHRM2CHRM1CHRM3CYP1A2
SCHEMBL1154446 0.88 MMP2 (0.38) UCHL1CHRM2CHRM1CHRM3CYP1A2
SCHEMBL20789245 0.88 HSD17B10 (0.40) HSD17B10UCHL1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578633-A VASOPRESSIN AND OXYTOCIN ANTAGONISTS SANOFI (FR) 1996-11-26 US disclosed
US-5481005-A N-sulfonylindoline derivatives, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1996-01-02 US disclosed
US-5397801-A Affinity for vasopressin and ocytocin receptors; disorders of nervous, cardiovascular and gastrointestinal systems SANOFI (FR) 1995-03-14 US disclosed
US-5338755-A Have affinity for vasopressin and ocytocin receptors; intermediates for drugs that act on central nervous system ELF SANOFI (FR) 1994-08-16 US disclosed