SCHEMBL7652135

SCHEMBL7652135

CCOC(=O)c1ccc(NC(C)=O)c(NCc2ccc(COC3CCCCC3)cc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.49
KMT2A Q03164 3/20 0.41
MAPK1 P28482 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGER4 P35408 1/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SCN9A Q15858 1/20 0.36
PPM1D O15297 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL6307818 0.82 ALOX15 (0.45) ALOX15KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL7657241 0.81 ALOX15 (0.47) ALOX15KMT2AMAPK1PTGER4CYP1A2
SCHEMBL6301413 0.81 KMT2A (0.45) ALOX15KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL7650334 0.81 ALDH1A1 (0.55) ALOX15KMT2ASMN1; SMN2PTGER4POLB
SCHEMBL6301593 0.81 HDAC1 (0.54) ALOX15KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL6301341 0.79 KMT2A (0.48) ALOX15KMT2ASMN1; SMN2PTGER4POLB
SCHEMBL6301558 0.79 KMT2A (0.48) ALOX15KMT2AMEN1SMN1; SMN2PTGER4
SCHEMBL6301182 0.78 KMT2A (0.47) ALOX15KMT2AMEN1SMN1; SMN2POLB
SCHEMBL6430006 0.77 KMT2A (0.47) ALOX15KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL6301145 0.77 KMT2A (0.47) ALOX15KMT2AMEN1SMN1; SMN2POLB

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-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
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed