SCHEMBL7656112

SCHEMBL7656112

CCCCOc1ccc(Cn2c(C)nc3c(C(=O)OCC)cccc32)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 1/20 0.39
PIK3C2B O00750 2/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.37
PLA2G2A P14555 1/20 0.37

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
SCHEMBL6168359 0.86 LMNA (0.54) LMNASMN1; SMN2PPARGPIK3C2BALDH1A1
SCHEMBL7659283 0.85 PIK3C2B (0.47) LMNASMN1; SMN2HSD17B10PPARGPIK3C2B
SCHEMBL6490840 0.83 BCL2 (0.46) SMN1; SMN2HSD17B10PPARGALDH1A1MAPT
SCHEMBL6490815 0.83 CYSLTR2 (0.41) LMNASMN1; SMN2PPARGGAAPLA2G2A
SCHEMBL6490551 0.82 PLA2G2A (0.41) PPARGPLA2G2ATHRB
SCHEMBL6489090 0.82 PPARG (0.43) LMNASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL6487667 0.80 PLA2G2A (0.40) PPARGPLA2G2AMCL1
SCHEMBL6301191 0.80 PPARG (0.55) SMN1; SMN2NPC1RAB9APPARGALDH1A1
SCHEMBL6501647 0.80 PLA2G2A (0.41) PPARGPLA2G2ATHRB
SCHEMBL6501700 0.79 MCL1 (0.40) LMNAPPARGALDH1A1MAPTL3MBTL1

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-6420409-B1 GLUCOSE TOLERANCE, DIABETES,INSULIN RESISTANCE, POLYCYSTIC OVARY SYNDROME, HYPERLIPIDEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS, HYPERGLYCEMIA, HYPERTENSION, STENOCARDIA, PULMONARY HYPERTENSION, CONGESTIVE HEART FAILURE, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed