SCHEMBL9556345

SCHEMBL9556345

COC(=O)C(C)(Cc1ccccc1)S(=O)(=O)O.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 10/20 0.55
PTPN2 P17706 3/20 0.55
PTPN1 P18031 3/20 0.55
PTPRA P18433 1/20 0.55
MMP1 P03956 5/20 0.50
MMP13 P45452 5/20 0.50
MMP9 P14780 4/20 0.50
ACP1 P24666 2/20 0.46
PTPRC P08575 1/20 0.46
PTPRG P23470 1/20 0.46
MMP8 P22894 1/20 0.44
KCNN4 O15554 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL28294369 0.78 MMP8 (0.50) PTPRBPTPN2PTPN1PTPRAMMP1
SCHEMBL14518077 0.76 PTPN1 (0.51) PTPRBPTPN2PTPN1PTPRAMMP1
SCHEMBL293540 0.76 MMP8 (0.51) PTPRBPTPN2PTPN1PTPRAMMP8
SCHEMBL21811199 0.76 MMP8 (0.51) PTPRBPTPN2PTPN1PTPRAMMP1
SCHEMBL29277132 0.76 PTPN1 (0.51) PTPRBPTPN2PTPN1PTPRAMMP1
SCHEMBL4008616 0.75 MMP8 (0.50) PTPRBPTPN2PTPN1PTPRAMMP1
SCHEMBL28040972 0.75 PTPN1 (0.50) PTPRBPTPN2PTPN1PTPRAMMP1
Ammonia Solution, Strong SCHEMBL9134412 0.75 PTPRB (0.50) PTPRBPTPN2PTPN1PTPRAACP1
SCHEMBL11175367 0.74 PTPRB (0.69) PTPRBPTPN2PTPN1PTPRAACP1
SCHEMBL3272206 0.73 MMP8 (0.49) PTPRBPTPN2PTPN1PTPRAMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 US disclosed