SCHEMBL7650334

SCHEMBL7650334

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 1/20 0.50
RAB9A P51151 5/20 0.45
CYP1A2 P05177 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PTGER4 P35408 3/20 0.42
MAPT P10636 2/20 0.42
STAT1 P42224 1/20 0.41
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40

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
SCHEMBL6301593 0.91 HDAC1 (0.54) ALDH1A1KMT2ARAB9ACYP1A2HDAC1
SCHEMBL6301341 0.89 KMT2A (0.48) ALDH1A1KMT2ARAB9ACYP1A2HDAC1
SCHEMBL6301558 0.89 KMT2A (0.48) ALDH1A1KMT2ARAB9ACYP1A2HDAC1
SCHEMBL6301182 0.89 KMT2A (0.47) ALDH1A1KMT2ARAB9ACYP1A2HDAC1
SCHEMBL6301145 0.88 KMT2A (0.47) ALDH1A1KMT2ARAB9ACYP1A2HDAC1
SCHEMBL6430006 0.88 KMT2A (0.47) ALDH1A1KMT2ARAB9ACYP1A2HDAC1
SCHEMBL6303883 0.87 RAB9A (0.59) ALDH1A1KMT2ARAB9ACYP1A2HDAC1
SCHEMBL7657052 0.86 KMT2A (0.58) ALDH1A1KMT2ARAB9AKDM4EPOLB
SCHEMBL6301413 0.86 KMT2A (0.45) ALDH1A1KMT2ARAB9ACYP1A2HDAC1
SCHEMBL6307818 0.83 ALOX15 (0.45) KMT2ARAB9ACYP1A2ALOX15POLB

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