SCHEMBL9445908

SCHEMBL9445908

O=C(O)CNCCP(=O)(O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PGK1 P00558 1/20 0.41
PGK2 P07205 1/20 0.41
TYMS P04818 1/20 0.39
S1PR2 O95136 5/20 0.38
S1PR4 O95977 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR5 Q9H228 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL9445930 0.89 S1PR2 (0.52) FOLH1LMNABLMTYMSS1PR2
SCHEMBL7519229 0.87 S1PR2 (0.50) LMNABLMTYMSS1PR2S1PR4
SCHEMBL7575850 0.85 S1PR2 (0.53) TYMSS1PR2S1PR4S1PR1S1PR3
Medronic Acid SCHEMBL7764860 0.83 KDM4E (0.48) FOLH1MEN1LMNAHPGDTSHR
Phosphoric Acid SCHEMBL27508881 0.78 LMNA (0.43) FOLH1MEN1LMNAHPGDTSHR
SCHEMBL163217 0.78 LMNA (0.44) LMNATSHR
SCHEMBL10988936 0.78 LMNA (0.44) LMNATSHR
SCHEMBL4966489 0.78 TYMS (0.53) LMNABLMPGK1PGK2TYMS
Medronic Acid SCHEMBL11786694 0.77 KDM4E (0.53) FOLH1MEN1LMNAHPGDTSHR
Glyphosate SCHEMBL30579950 0.77 LMNA (0.43) FOLH1MEN1LMNAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116617094-A Alginate impression material for dentistry 株式会社GC 2023-08-22 CN disclosed
US-5179085-A Cerebrovascular disorders WARNER-LAMBERT COMPANY (US) 1993-01-12 US disclosed
US-4216226-A GLYCINE DERIVATIVE MEIJI SEIKA KAISHA, LTD. (JP) 1980-08-05 US disclosed