SCHEMBL46203

SCHEMBL46203

COc1cc(OCc2ccc(Br)cc2OC)ccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TUBB1 Q9H4B7 1/20 0.46
MAOB P27338 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ERN1 O75460 1/20 0.41
PARP15 Q460N3 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
APLNR P35414 1/20 0.40
MAPT P10636 3/20 0.40
CYP1A1 P04798 1/20 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
SCHEMBL30178662 0.81 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2C19L3MBTL1ERN1
SCHEMBL11173 0.81 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2C19L3MBTL1ERN1
SCHEMBL10075194 0.81 MEN1 (0.45) ALDH1A1MAOBMEN1KMT2ACYP1A2
SCHEMBL15981210 0.81 MAOB (0.47) ALDH1A1MAOBMEN1KMT2ACYP1A2
SCHEMBL19839152 0.79 ALDH1A1 (0.51) ALDH1A1TUBB1MAOBL3MBTL1ERN1
SCHEMBL29724497 0.79 ALDH1A1 (0.51) ALDH1A1TUBB1MAOBL3MBTL1ERN1
SCHEMBL16199144 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL6232985 0.76 PARP10 (0.62) ALDH1A1TUBB1MAOBMEN1KMT2A
SCHEMBL5885604 0.76 ALDH1A1 (0.68) ALDH1A1TUBB1MAOBMEN1KMT2A
SCHEMBL31001958 0.76 HDAC8 (0.54) ALDH1A1TUBB1MAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871893-B2 Signal-responsive plastics THE PENN STATE RESEARCH FOUNDATION (US) 2014-10-28 US disclosed
US-20140242623-A1 SIGNAL-RESPONSIVE PLASTICS THE PENN STATE RESEARCH FOUNDATION 2014-08-28 US disclosed
WO-2012005806-A2 SIGNAL-RESPONSIVE PLASTICS THE PENN STATE RESEARCH FOUNDATION (US) 2012-01-12 WO disclosed