SCHEMBL7651523

SCHEMBL7651523

COC(=O)c1ccc(CCl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 1/20 0.49
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
PDK1 Q15118 2/20 0.46
PDK2 Q15119 2/20 0.46
PDK3 Q15120 2/20 0.46
PDK4 Q16654 2/20 0.46
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 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
SCHEMBL15778501 0.88 ALDH1A1 (0.53) ALDH1A1CA1CA2CA12CA7
SCHEMBL480297 0.85 ALDH1A1 (0.50) ALDH1A1CA1CA2CA12CA7
SCHEMBL2948380 0.85 LOXL2 (0.54) ALDH1A1CA1CA2CA12CA7
SCHEMBL2336306 0.83 ALDH1A1 (0.49) ALDH1A1CA1CA2CA12CA7
Hydrochloric Acid SCHEMBL987789 0.83 LOXL2 (0.53) ALDH1A1CA1CA2CA12CA7
SCHEMBL2332196 0.83 ALDH1A1 (0.49) ALDH1A1CA1CA2CA12CA7
SCHEMBL18703594 0.83 NPC1 (0.56) ALDH1A1CA1CA2CA12CA7
SCHEMBL14037636 0.83 PPARG (0.52) ALDH1A1CA1CA2CA12CA7
SCHEMBL31161637 0.83 ALDH1A1 (0.49) ALDH1A1CA1CA2CA12CA7
SCHEMBL10659379 0.83 ALDH1A1 (0.53) ALDH1A1CA1CA2CA12CA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1135224-C Benzimidazole derivatives ����ҩƷ��ҵ��ʽ���� 2004-01-21 CN disclosed
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
CN-1268123-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-27 CN disclosed
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed