SCHEMBL9339985

SCHEMBL9339985

CCCCOC(OCCCC)P(=O)(CCCN)OCC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
GABRR1 P24046 1/20 0.41
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DNM1 Q05193 1/20 0.33
THPO P40225 1/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32

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
SCHEMBL9337849 0.92 CYP1A2 (0.47) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL3844181 0.86 CYP1A2 (0.61) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL9062812 0.79 MEN1 (0.42) CYP1A2MEN1KMT2ACYP3A4TSHR
SCHEMBL9337971 0.78 TSHR (0.38) CYP3A4TSHRHPGDSMN1; SMN2LPAR1
SCHEMBL9340007 0.77 CYP1A2 (0.45) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL6355943 0.77 CYP1A2 (0.72) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL8971372 0.74 CYP1A2 (0.44) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL10586491 0.74 MEN1 (0.41) CYP1A2MEN1KMT2A
SCHEMBL9336370 0.72 CYP1A2 (0.44) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL4859157 0.70 CYP3A4 (0.52) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319482-B1 Novel substituted propane phosphinic acid compounds CIBA GEIGY AG (CH) 1994-05-18 EP disclosed
US-5300679-A Antagonists to 4-aminobutyric acid CIBA-GEIGY CORPORATION (US) 1994-04-05 US disclosed
US-5190933-A Treatment of cognitive and memory disorders CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
US-5064819-A Antidepressants, anxiolytic agents, GABA antagonists CIBA-GEIGY CORPORATION (US) 1991-11-12 US disclosed
US-5051524-A Treatment of a phosphinic acid with an anhydrous protic medium CIBA-GEIGY CORPORATION (US) 1991-09-24 US disclosed
US-5013863-A Learning enhancement CIBA-GEIGY CORPORATION (US) 1991-05-07 US disclosed
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