SCHEMBL7806605

SCHEMBL7806605

O=C(Nc1ccccc1Cl)c1ccc(OCCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.58
RAB9A P51151 8/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.56
ATM Q13315 1/20 0.56
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 3/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
APOBEC3A P31941 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
HPGD P15428 1/20 0.51
PDE4D Q08499 1/20 0.51
P4HTM Q9NXG6 1/20 0.51
PLK1 P53350 1/20 0.51

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
SCHEMBL13049170 0.80 RAB9A (0.65) NPC1RAB9AL3MBTL1ALDH1A1GLA
SCHEMBL3785860 0.80 F10 (0.79) NPC1RAB9AL3MBTL1ALDH1A1GLA
SCHEMBL30117892 0.80 F10 (0.79) NPC1RAB9AL3MBTL1ALDH1A1GLA
SCHEMBL7814785 0.79 TP53 (0.54) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL5183311 0.78 GAA (0.66) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL11193309 0.77 PLK1 (0.60) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL11146320 0.77 MAPT (0.58) NPC1RAB9AL3MBTL1ALDH1A1KMT2A
SCHEMBL5180990 0.77 MAPT (0.64) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL22192224 0.77 MAPT (0.64) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL14252928 0.77 MEN1 (0.79) NPC1RAB9AL3MBTL1ALDH1A1GLA

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-1077929-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
WO-1999061410-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-02 WO disclosed