SCHEMBL7377136

SCHEMBL7377136

O=C(O)c1ccc(NC(=O)[C@H](Cc2ccccc2)OP(=O)(OCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PPIA P62937 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LTA4H P09960 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FFAR1 O14842 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL7383121 0.88 TDP1 (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7382435 0.87 RAB9A (0.54) MEN1KMT2APPIANPC1RAB9A
SCHEMBL7381948 0.86 CYP1A2 (0.46) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL7298373 0.84 KMT2A (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7298366 0.84 KMT2A (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10522272 0.83 KMT2A (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7382129 0.83 FPR2 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7299496 0.82 TDP1 (0.47) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL7299487 0.82 TDP1 (0.47) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL7386048 0.82 FPR2 (0.48) MEN1KMT2ANPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4853476-A Phosphorus containing compounds as inhibitors of enkephalinases SCHERING CORPORATION (US) 1989-08-01 US disclosed