SCHEMBL3391977

SCHEMBL3391977

COc1ccccc1-c1cc(CBr)n(C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
FABP3 P05413 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
ADORA3 P0DMS8 4/20 0.42
ADORA1 P30542 2/20 0.42
HSD11B1 P28845 1/20 0.40
MDM2 Q00987 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
SCHEMBL13425851 0.84 MAPT (0.41) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL3393359 0.82 GAA (0.51) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL3394445 0.81 ALPL (0.43) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL28623922 0.78 RXFP1 (0.50) MAPTTP53ALDH1A1KDM4ERXFP1
SCHEMBL3432882 0.78 HSP90AA1 (0.41) KDM4EPOLB
SCHEMBL3395758 0.78 GRK6 (0.41) MAPTTP53ALDH1A1HSD17B10GAA
SCHEMBL3392233 0.74 PTGER4 (0.39) ALDH1A1HPGDRXFP1
SCHEMBL3431052 0.73 CNR1 (0.37) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL3395630 0.72 HDAC6 (0.44) MAPTALDH1A1KDM4EADORA3ADORA1
SCHEMBL3436658 0.72 KDM4E (0.48) MAPTTP53ALDH1A1KDM4EHPGD

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed