SCHEMBL9337971

SCHEMBL9337971

CCCCOC(OCCCC)P(=O)(CCC#N)OCC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.35
ACHE P22303 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31

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
SCHEMBL9340199 0.91 ACHE (0.33) TSHRACHE
SCHEMBL3842819 0.85 ACHE (0.35) TSHRACHE
SCHEMBL10343591 0.81 MEN1 (0.38) TSHRACHE
SCHEMBL9339985 0.78 CYP1A2 (0.46) TSHRCYP3A4HPGDSMN1; SMN2LPAR1
SCHEMBL9417123 0.78 MEN1 (0.42) TSHRCYP3A4HPGDSMN1; SMN2LPAR1
SCHEMBL9337737 0.76 ACHE (0.33) TSHRACHE
SCHEMBL8971494 0.74 ACHE (0.36) TSHRACHE
SCHEMBL9062812 0.73 MEN1 (0.42) TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL9336312 0.72 ACHE (0.33) TSHRACHE
SCHEMBL9063517 0.72 TSHR (0.43) TSHRCYP3A4ACHEHPGDSMN1; 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
EP-0319482-B1 Novel substituted propane phosphinic acid compounds CIBA GEIGY AG (CH) 1994-05-18 EP disclosed
US-5064819-A Antidepressants, anxiolytic agents, GABA antagonists CIBA-GEIGY CORPORATION (US) 1991-11-12 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