SCHEMBL9833355

SCHEMBL9833355

O=S(=O)(NCC1CCC(O)C1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.73
ALDH1A1 P00352 5/20 0.57
PKM P14618 1/20 0.57
CTSL P07711 2/20 0.56
CTSB P07858 2/20 0.56
CTSK P43235 2/20 0.56
KMT2A Q03164 8/20 0.54
MEN1 O00255 7/20 0.54
POLB P06746 2/20 0.53
CYP2C9 P11712 1/20 0.50
PARG Q86W56 1/20 0.49
NPY5R Q15761 1/20 0.48
KEAP1 Q14145 1/20 0.47

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
SCHEMBL2470122 0.85 GBA1 (1.00) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL9832863 0.85 THRB (0.54) GBA1ALDH1A1PKMKMT2AMEN1
SCHEMBL9832626 0.85 CNR2 (0.53) GBA1ALDH1A1PKMKMT2AMEN1
SCHEMBL14518846 0.81 GBA1 (0.71) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL14504649 0.81 GBA1 (0.71) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL8394068 0.79 GBA1 (0.86) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL3811045 0.79 GBA1 (0.86) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL9502721 0.79 GBA1 (0.59) GBA1ALDH1A1PKMKMT2AMEN1
SCHEMBL3851236 0.79 GBA1 (0.79) GBA1ALDH1A1PKMKMT2AMEN1
SCHEMBL5205575 0.79 GBA1 (0.79) GBA1ALDH1A1PKMKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0242518-B1 Cycloalkano[1,2-b]indole-sulfonamides BAYER AG (DE) 1991-04-10 EP disclosed
US-4988820-A Inhibiting platelet aggregation, anticoagulants, thromboxane a2 antagonist BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4965258-A Anticoagulant; thromboxane a2 antagonist BAYER AKTIENGESELLSCHAFT (DE) 1990-10-23 US disclosed
US-4904797-A REACTING A (BENZENESULFONAMIDOALKYL)CYCLOALKANO(1,2-B)INDOLE WITH ACRYLONITRILE; HYDROLYSIS, HYDROGENATION, REDUCTION BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed
US-4827032-A INTERMEDIATES FOR ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-05-02 US disclosed
EP-0242518-A1 Cycloalkano[1,2-b]indole-sulfonamides BAYER AG (DE) 1987-10-28 EP disclosed