SCHEMBL7516044

SCHEMBL7516044

O=S(=O)(O)Cc1[c]cccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FAAH O00519 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
ELANE P08246 1/20 0.30
PRTN3 P24158 1/20 0.30
PRSS3 P35030 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 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
SCHEMBL9473446 0.80 TSHR (0.31) TSHRSMN1; SMN2
SCHEMBL239869 0.79 LMNA (0.33) CA1CA2MMP1MMP2MMP9
SCHEMBL19743670 0.79 FAAH (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL8823424 0.79 ALDH1A1 (0.33) CA1CA2MMP1MMP2MMP9
SCHEMBL8480017 0.79 CA2 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL1987184 0.78 PSIP1 (0.34) CA1CA2MMP1MMP2MMP9
SCHEMBL692150 0.77 APP (0.33) CA2
SCHEMBL3097610 0.76 PSIP1 (0.47) TSHRSMN1; SMN2
SCHEMBL8954134 0.76 MGLL (0.35)
SCHEMBL8474314 0.75 CA1 (0.36) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101855225-B Tricyclic bridged cyclopentanedione derivatives as herbicides SYNGENTA LTD 2014-01-08 CN disclosed
CN-102348686-A Bis aromatic compounds for use as ltc4 synthase inhibitors BIOLIPOX AB (SE) 2012-02-08 CN disclosed
CN-101855225-A Tricyclic bridged cyclopentanedione derivatives as weedicide SYNGENTA LTD 2010-10-06 CN disclosed
CN-1889940-A Treatment of personality changes due to hot flashes, impulse control disorders and systemic medical conditions LILLY CO ELI (US) 2007-01-03 CN disclosed
EP-1263804-A1 REACTIVE POLYMERS Novartis AG (CH) 2002-12-11 EP disclosed
EP-1169366-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2002-01-09 EP disclosed
WO-2001066605-A1 REACTIVE POLYMERS NOVARTIS AG (CH) 2001-09-13 WO disclosed
WO-2000059970-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2000-10-12 WO disclosed
CN-1046942-C Imidazopyridines MERCK PATENT GMBH (DE) 1999-12-01 CN disclosed
US-5672738-A REACTING AN AROMATIC SUBSTITUTED CYCLIC CARBAMATE WITH 2-MERCAPTETHANOL IN PRESENCE OF A BASIC CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed
CN-1129702-A Imidazopyridines MERCK PATENT GMBH (DE) 1996-08-28 CN disclosed
US-5274086-A A xanthene derivative KIKKOMAN CORPORATION (JP) 1993-12-28 US disclosed
EP-0114032-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-07-01 EP disclosed
EP-0074928-A2 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1983-03-23 EP disclosed