SCHEMBL8327647

SCHEMBL8327647

O=C(Nc1ccccc1)OCCCC(O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
RECQL P46063 1/20 0.61
TSHR P16473 1/20 0.55
LMNA P02545 3/20 0.54
ALDH1A1 P00352 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 2/20 0.51
CHRNA7 P36544 1/20 0.51
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 1/20 0.49
KLK7 P49862 1/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL8323233 0.90 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2RECQLTSHR
SCHEMBL8319913 0.85 LMNA (0.54) NPC1RAB9ASMN1; SMN2RECQLLMNA
SCHEMBL10597471 0.84 RAB9A (0.77) NPC1RAB9ASMN1; SMN2RECQLTSHR
SCHEMBL17263428 0.82 RAB9A (0.75) NPC1RAB9ASMN1; SMN2RECQLTSHR
SCHEMBL10817231 0.82 RAB9A (0.75) NPC1RAB9ASMN1; SMN2RECQLTSHR
SCHEMBL8323364 0.81 CHRM3 (0.50) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL8323008 0.80 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL15809660 0.79 POLB (0.55) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL10817742 0.79 RAB9A (0.58) NPC1RAB9ASMN1; SMN2RECQLTSHR
SCHEMBL15809658 0.79 POLB (0.55) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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
US-5977170-A HIGH DENISTY LIPOPROTEINS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-02 US disclosed
WO-1998057927-A1 ELEVATION OF HDL CHOLESTEROL BY 4-[(AMINOTHIOXOMETHYL)HYDRAZONO]-4-ARYLBUTYL CARBAMATES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 WO disclosed