SCHEMBL8308036

SCHEMBL8308036

OCCOc1cccc(C2=N[C@@H](c3ccccc3)CO2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TAAR1 Q96RJ0 4/20 0.46
RECQL P46063 1/20 0.43
FFAR1 O14842 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
POLB P06746 1/20 0.39

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
SCHEMBL8305637 1.00 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8305639 1.00 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8303889 0.85 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8303887 0.85 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8304184 0.83 NPC1 (0.49) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8304181 0.83 NPC1 (0.49) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8553789 0.83 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8553787 0.83 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8612736 0.82 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL1298504 0.81 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832078-B1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1999-10-20 EP disclosed
EP-0832078-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996040659-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1996-12-19 WO disclosed