SCHEMBL3469876

SCHEMBL3469876

Cc1cc(O)c(C)c(-c2ccccc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
ESR2 Q92731 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4B Q07343 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
ALOX5 P09917 2/20 0.39
ERAP1 Q9NZ08 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL7649546 0.88 PDE4B (0.43) BACE1ESR2HTTLMNAALDH1A1
SCHEMBL4274830 0.85 PDE4B (0.44) BACE1ESR2HTTLMNAALDH1A1
SCHEMBL9721459 0.84 MAPT (0.47) ESR2HTTLMNAALDH1A1KDM4E
SCHEMBL27957734 0.82 PDE4B (0.50) BACE1ESR2HTTLMNAALDH1A1
SCHEMBL19765509 0.79 ACHE (0.48) ESR2HTTLMNAALDH1A1KDM4E
SCHEMBL1860044 0.79 HTT (0.50) BACE1ESR2HTTLMNAALDH1A1
SCHEMBL982859 0.78 TRPA1 (0.44) BACE1ESR2HTTLMNAALDH1A1
SCHEMBL7517676 0.78 BACE1 (0.46) BACE1ESR2HTTALDH1A1PDE4B
SCHEMBL27846611 0.78 CYP2A6 (0.46) ALDH1A1KDM4ERAB9AALOX5CYP1A2
SCHEMBL4275553 0.78 ALOX5 (0.44) BACE1ESR2HTTLMNAALDH1A1

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-2010075544-A1 NOVEL COLOR-FORMING COMPOUNDS AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, INC. (US) 2010-07-01 WO disclosed