SCHEMBL7360148

SCHEMBL7360148

O=C(Nc1[c]c(Cl)ccc1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 1/20 0.46
ENPP2 Q13822 2/20 0.46
P2RX7 Q99572 1/20 0.46
LMNA P02545 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CASP3 P42574 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL27924561 0.84 MGLL (0.52) MGLLNPC1RAB9APOLBSMN1; SMN2
SCHEMBL27330799 0.82 MGLL (0.50) MGLLNPC1RAB9APOLBSMN1; SMN2
SCHEMBL2035775 0.78 NPC1 (0.54) MGLLNPC1RAB9APOLBSMN1; SMN2
SCHEMBL3786444 0.76 NPC1 (0.68) MGLLNPC1RAB9APOLBSMN1; SMN2
SCHEMBL3430834 0.74 POLB (0.57) MGLLNPC1RAB9APOLBSMN1; SMN2
Benzyl Phenylcarbamate SCHEMBL1222943 0.73 POLB (0.78) MGLLNPC1RAB9APOLBSMN1; SMN2
SCHEMBL3782118 0.73 NPC1 (0.68) MGLLNPC1RAB9APOLBSMN1; SMN2
SCHEMBL3795024 0.73 POLB (0.68) MGLLNPC1RAB9APOLBSMN1; SMN2
SCHEMBL30207803 0.73 NPC1 (0.68) MGLLNPC1RAB9APOLBSMN1; SMN2
SCHEMBL3791341 0.72 MGLL (0.72) MGLLNPC1RAB9AALDH1A1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095022-A1 RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 2001-05-02 EP disclosed
WO-2000002862-A1 RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-20 WO disclosed