SCHEMBL6997539

SCHEMBL6997539

CS(=O)(=O)OC[C@@H]1CN(Cc2ccccc2)C[C@@H]1COS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.46
FUCA1 P04066 2/20 0.45
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN1 P18031 1/20 0.44
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.42
RORC P51449 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ACHE P22303 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL6997546 1.00 GBA1 (0.46) GBA1FUCA1RECQLSMN1; SMN2PTPN1
SCHEMBL500387 0.92 FUCA1 (0.55) GBA1FUCA1RECQLSMN1; SMN2PTPN1
SCHEMBL10511264 0.92 FUCA1 (0.55) GBA1FUCA1RECQLSMN1; SMN2PTPN1
SCHEMBL18453619 0.89 PTPN1 (0.44) GBA1FUCA1RECQLSMN1; SMN2PTPN1
SCHEMBL22211395 0.89 PTPN1 (0.44) GBA1FUCA1RECQLSMN1; SMN2PTPN1
SCHEMBL500407 0.89 PTPN1 (0.44) GBA1FUCA1RECQLSMN1; SMN2PTPN1
SCHEMBL18488954 0.89 PTPN1 (0.44) GBA1FUCA1RECQLSMN1; SMN2PTPN1
SCHEMBL3917962 0.85 FUCA1 (0.43) FUCA1RECQLSMN1; SMN2PTPN1S1PR1
SCHEMBL3917960 0.85 FUCA1 (0.43) FUCA1RECQLSMN1; SMN2PTPN1S1PR1
SCHEMBL17220043 0.85 FUCA1 (0.43) FUCA1RECQLSMN1; SMN2PTPN1S1PR1

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
EP-0792273-B1 BICYCLIC OXAZINE AND THIAZINE OXAZOLIDINONE ANTIBACTERIALS UPJOHN CO (US) 2003-03-05 EP disclosed
US-5952324-A BACTERICIDES AGAINST A NUMBER OF HUMAN AND VETERINARY PATHOGENS, INCLUDING GRAMPOSITIVE AEROBIC BACTERIA SUCH AS STAPHYLOCOCCI, STREPTOCOCCI, ENTEROCOCCI AND ANAEROBIC ORGANISMS SUCH AS BACTEROIDES, CLOSTRIDIA AND MYCOBACTERIUM PHARMACIA & UPJOHN COMPANY (US) 1999-09-14 US disclosed