SCHEMBL4970085

SCHEMBL4970085

O=C(C=Cc1cccc(O)c1O)c1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.64
AR P10275 2/20 0.60
PTPN5 P54829 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.52
CXCL12 P48061 1/20 0.52
IAPP P10997 2/20 0.51
NR1H4 Q96RI1 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
CHRNA7 P36544 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL11252879 0.89 AR (0.76) ARPTPN5ABCG2CXCL12MAPT
SCHEMBL11252878 0.89 AR (0.76) ARPTPN5ABCG2CXCL12MAPT
SCHEMBL636137 0.82 BACE1 (0.74) BACE1ARIAPPNR1H4MAPT
SCHEMBL10805789 0.81 PTPN5 (0.65) ARPTPN5CXCL12MAPTMAPK1
SCHEMBL10805785 0.81 PTPN5 (0.65) ARPTPN5CXCL12MAPTMAPK1
SCHEMBL471832 0.77 BCHE (0.77) BACE1ARIAPPNR1H4MAPT
SCHEMBL10829866 0.77 PTPN5 (0.73) ARPTPN5ABCG2MAPTCHRNA7
SCHEMBL13857122 0.77 PTPN5 (0.73) ARPTPN5ABCG2MAPTCHRNA7
SCHEMBL25219942 0.76 CXCL12 (0.63) ARABCG2CXCL12NR1H4MAPT
SCHEMBL13857110 0.75 AR (1.00) ARMAPTMAPK1CHRNA7

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
EP-1254658-B1 REMEDIES FOR THE TREATMENT OF NERVE DIORDERS TAKARA BIO INC (JP) 2008-09-24 EP disclosed