SCHEMBL10586199

SCHEMBL10586199

CC1(C(O)P(=O)(O)CCCN)CC1=S

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GABBR2 O75899 3/20 0.39
GABBR1 Q9UBS5 3/20 0.39
TSHR P16473 1/20 0.39
THPO P40225 1/20 0.39
LMNA P02545 2/20 0.38
BLM P54132 2/20 0.38
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
PMP22 Q01453 1/20 0.37
GABRR1 P24046 1/20 0.36

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
SCHEMBL6354585 0.72 CYP1A2 (0.55) CYP1A2MEN1KMT2AGABBR2GABBR1
Hydrochloric Acid SCHEMBL9340197 0.70 LMNA (0.56) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL9336343 0.70 CYP1A2 (0.42) CYP1A2MEN1KMT2AGABBR2GABBR1
Hydrochloric Acid SCHEMBL9336334 0.69 LMNA (0.42) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL2353070 0.66 CYP1A2 (0.57) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL6351470 0.65 CYP1A2 (0.52) CYP1A2MEN1KMT2AGABBR2GABBR1
Hydrochloric Acid SCHEMBL9336348 0.64 LMNA (0.52) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL6360421 0.62 CYP1A2 (0.53) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL6353688 0.62 LMNA (0.45) CYP1A2MEN1KMT2AGABBR2GABBR1
Hydrochloric Acid SCHEMBL9336340 0.62 LMNA (0.45) CYP1A2MEN1KMT2AGABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319479-A2 Substituted propane-phosphinic acid compounds CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed
EP-0319482-A2 Novel substituted propane phosphinic acid compounds CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed