SCHEMBL29984

SCHEMBL29984

O=Cc1ccc(Oc2cc(Br)ccc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
KCNH2 Q12809 2/20 0.43
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
CYP2A6 P11509 1/20 0.39
TTR P02766 2/20 0.39
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A3 P47895 1/20 0.36
VCAM1 P19320 1/20 0.36
STS P08842 1/20 0.35
MAPT P10636 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL755560 0.87 TTR (0.47) ALDH1A1HTR2ASLC6A4KCNH2KDM4E
SCHEMBL30378054 0.87 TTR (0.47) ALDH1A1HTR2ASLC6A4KCNH2KDM4E
SCHEMBL8549986 0.85 ALDH1A1 (0.47) ALDH1A1KDM4ELMNASMN1; SMN2PARP10
SCHEMBL1508467 0.83 HSD17B10 (0.50) ALDH1A1HTR2ASLC6A4KCNH2KDM4E
SCHEMBL8551788 0.81 F2 (0.50) ALDH1A1KDM4ELMNASMN1; SMN2PARP10
SCHEMBL22719576 0.81 ALDH1A1 (0.43) ALDH1A1SLC6A4KDM4ELMNASMN1; SMN2
SCHEMBL29504939 0.81 ALDH1A1 (0.43) ALDH1A1SLC6A4KDM4ELMNASMN1; SMN2
SCHEMBL16695420 0.78 SLC6A4 (0.46) ALDH1A1HTR2ASLC6A4KCNH2LMNA
SCHEMBL9762708 0.77 TTR (0.42) ALDH1A1SLC6A4KDM4ELMNASMN1; SMN2
SCHEMBL8187061 0.77 TTR (0.64) ALDH1A1KDM4ELMNASMN1; SMN2CYP2A6

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
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed