SCHEMBL7873176

SCHEMBL7873176

C[C@H](SCc1ccccc1)C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.70
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 2/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL7396452 1.00 EPHX1 (0.70) EPHX1L3MBTL1POLBATMSMN1; SMN2
SCHEMBL44800 0.85 L3MBTL1 (0.56) EPHX1L3MBTL1POLBATMSMN1; SMN2
SCHEMBL15141726 0.83 L3MBTL1 (0.55) EPHX1L3MBTL1POLBATMSMN1; SMN2
SCHEMBL9857113 0.81 POLB (0.54) EPHX1L3MBTL1POLBATMSMN1; SMN2
SCHEMBL27633675 0.81 EPHX1 (0.59) EPHX1
SCHEMBL7080143 0.81 EPHX1 (0.53) EPHX1
SCHEMBL11769885 0.80 PPARG (0.54) EPHX1L3MBTL1POLBATMSMN1; SMN2
Propionic Acid SCHEMBL9833196 0.79 POLB (0.51) EPHX1L3MBTL1POLBATMSMN1; SMN2
SCHEMBL11204748 0.79 EPHX1 (0.55) EPHX1L3MBTL1LMNA
SCHEMBL9741104 0.79 L3MBTL1 (0.55) EPHX1L3MBTL1POLBATMSMN1; SMN2

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-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 US disclosed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 US disclosed
EP-0799191-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-08 EP disclosed
WO-1996019440-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-27 WO disclosed