SCHEMBL30640

SCHEMBL30640

CCOc1ccc(C=O)c(-c2cc(Br)ccc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
ERN1 O75460 2/20 0.45
PDE2A O00408 4/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
SLC2A1 P11166 1/20 0.36
PDGFRB P09619 1/20 0.36
HPGD P15428 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
TSHR P16473 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL30453 0.85 LMNA (0.40) ERN1PDE2AALDH1A1MAPTKMT2A
SCHEMBL4598834 0.85 ALDH1A1 (0.47) ERN1PDE2AALDH1A1MAPTKDM4E
SCHEMBL19252821 0.84 FFAR4 (0.45) FFAR1FFAR4ERN1PDE2AALDH1A1
SCHEMBL15015817 0.84 PDE2A (0.37) FFAR1FFAR4ERN1PDE2APTGDR2
SCHEMBL3795481 0.80 ERN1 (0.36) ERN1PDE2AALDH1A1MAPTKMT2A
SCHEMBL18138665 0.79 FFAR4 (0.44) FFAR1FFAR4PDE2A
SCHEMBL6319246 0.77 ERN1 (0.54) ERN1ALDH1A1MAPTKMT2AGAA
SCHEMBL29985 0.76 ERN1 (0.47) ERN1ALDH1A1PTGDR2
SCHEMBL29893480 0.76 FFAR4 (0.56) FFAR1FFAR4ALDH1A1MAPTKMT2A
Formaldehyde SCHEMBL29161042 0.75 FFAR4 (0.55) FFAR1FFAR4ALDH1A1MAPTKMT2A

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