SCHEMBL9257301

SCHEMBL9257301

O=C(O)CCC1CCC(CCNS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
TBXA2R P21731 2/20 0.58
GBA1 P04062 1/20 0.56
MAPK1 P28482 1/20 0.52
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KEAP1 Q14145 1/20 0.45

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
SCHEMBL8394585 0.89 GBA1 (0.69) ALDH1A1TBXA2RGBA1MAPK1RAB9A
SCHEMBL9502721 0.85 GBA1 (0.59) ALDH1A1TBXA2RGBA1MAPK1RAB9A
SCHEMBL9502716 0.84 GBA1 (0.61) ALDH1A1TBXA2RGBA1MAPK1RAB9A
SCHEMBL9259702 0.83 ALDH1A1 (0.51) ALDH1A1TBXA2RGBA1MAPK1RAB9A
SCHEMBL8391575 0.83 GBA1 (0.60) ALDH1A1TBXA2RGBA1MAPK1RAB9A
SCHEMBL8393373 0.83 GBA1 (0.60) ALDH1A1TBXA2RGBA1MAPK1RAB9A
SCHEMBL9259764 0.83 GBA1 (0.50) ALDH1A1TBXA2RGBA1MAPK1RAB9A
SCHEMBL8397048 0.82 GBA1 (0.58) ALDH1A1GBA1MAPK1LMNAKDM4E
SCHEMBL8391910 0.82 GBA1 (0.58) ALDH1A1GBA1MAPK1LMNAKDM4E
SCHEMBL9502641 0.81 GBA1 (0.57) ALDH1A1TBXA2RGBA1MAPK1RAB9A

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-5407951-A Anticoagulants, muscle relaxants, bronchodilators BOEHRINGER MANNHEIM GMBH (DE) 1995-04-18 US disclosed
EP-0361113-B1 SULFONAMIDOALKYL CYCLOALKANE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS Roche Diagnostics GmbH (DE) 1993-07-07 EP disclosed
US-5140038-A Thromboxane A2 antagonists BOEHRINGER MANNHEIM GMBH (DE) 1992-08-18 US disclosed
EP-0361113-A1 Sulfonamidoalkyl cycloalkane compounds, processes for their production and pharmaceutical preparations Roche Diagnostics GmbH (DE) 1990-04-04 EP disclosed