SCHEMBL9808253

SCHEMBL9808253

CC1C(CP(=O)(O)O)CCN(C(=O)OCc2ccccc2)C1(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ACE2 Q9BYF1 3/20 0.42
HTR2C P28335 1/20 0.42
ENPP2 Q13822 1/20 0.42
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
PREP P48147 1/20 0.37

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
SCHEMBL9808334 0.92 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AACE2HTR2C
SCHEMBL3710479 0.78 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL30591138 0.76 ELANE (0.48) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL9808275 0.74 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AACE2HTR2C
SCHEMBL7399283 0.72 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL31105176 0.71 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL10797345 0.69 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL23553476 0.69 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL16903468 0.69 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL6627044 0.69 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0203891-B1 CERTAIN PHOSPHONIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1991-05-15 EP disclosed