SCHEMBL4331872

SCHEMBL4331872

O=C(CBr)c1ccc(C2CC[CH]CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.48
PTPN1 P18031 6/20 0.48
HAO1 Q9UJM8 1/20 0.46
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.38
RAD52 P43351 1/20 0.38

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
SCHEMBL17873432 0.89 GSK3B (0.55) GSK3BPTPN1HAO1HDAC1HDAC8
SCHEMBL3891303 0.86 HAO1 (0.61) GSK3BPTPN1HAO1HDAC1HDAC8
SCHEMBL20428558 0.86 HAO1 (0.57) GSK3BPTPN1HAO1HDAC1HDAC8
SCHEMBL2550435 0.84 HAO1 (0.64) GSK3BPTPN1HAO1HDAC1HDAC8
SCHEMBL2445745 0.80 GSK3B (0.46) GSK3BPTPN1HAO1HDAC1HDAC8
SCHEMBL17834413 0.79 CYP2C9 (0.52) GSK3BPTPN1HAO1ALDH1A1SMN1; SMN2
SCHEMBL12302179 0.79 GSK3B (0.47) GSK3BPTPN1HAO1ALDH1A1SMN1; SMN2
SCHEMBL17968936 0.79 CYP2C9 (0.52) GSK3BPTPN1HAO1ALDH1A1SMN1; SMN2
SCHEMBL4943332 0.78 DGAT1 (0.54)
SCHEMBL4329859 0.76 ALDH1A1 (0.49) GSK3BPTPN1HAO1ALDH1A1SMN1; SMN2

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
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP disclosed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO disclosed