SCHEMBL3924752

SCHEMBL3924752

N#Cc1cc2c(c3ccc(O)c(O)c13)OCc1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
PSMB5 P28074 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
USP8 P40818 1/20 0.30
USP7 Q93009 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL6870570 0.86 AR (0.34) ARALDH1A1MAPTRAB9AMAOA
SCHEMBL4450109 0.76 ESR1 (0.43) ARMAPKAPK2NR1H2NR1H3ESR2
SCHEMBL3840410 0.69 ESR1 (0.41) ARCA1CA2CA4CA6
SCHEMBL29384472 0.67 ESR1 (0.39) ARESR2
SCHEMBL3384063 0.67 ESR1 (0.39) ARESR2
SCHEMBL31729511 0.64 MAOB (0.48) ARALDH1A1MAPTRAB9AMAOA
SCHEMBL4454413 0.64 ESR1 (0.48) ARESR2
SCHEMBL11068699 0.62 KDM4E (0.46) ARALDH1A1MAPTRAB9AMAOA
SCHEMBL6436081 0.62 KDM4E (0.38) ALDH1A1MAPTRAB9AKMT2ACA1
SCHEMBL10921593 0.61 ALDH1A1 (0.44) ALDH1A1MAPTRAB9AMAOAMAOB

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-2009009417-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-15 WO disclosed