SCHEMBL11566587

SCHEMBL11566587

COc1ccc(-c2nc3ccc(C=Cc4ccc5nc(-c6ccc(OC)cc6)oc5c4)cc3o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 5/20 0.58
HDAC6 Q9UBN7 2/20 0.58
APP P05067 4/20 0.53
MAPT P10636 6/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.51
GPR119 Q8TDV5 3/20 0.51
POLB P06746 1/20 0.51
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
THRB P10828 1/20 0.47

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
SCHEMBL3905723 0.91 APP (0.60) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL3905720 0.91 APP (0.60) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL11561892 0.89 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL11829408 0.85 APP (0.54) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL12332412 0.85 APP (0.56) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL9858278 0.83 HDAC6 (0.58) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL11138585 0.83 HDAC6 (0.58) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL11561164 0.82 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL12639218 0.82 MAPT (0.62) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL4228077 0.81 ESR1 (0.74) NPC1RAB9ASMN1; SMN2TP53HDAC6

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
US-4167628-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1979-09-11 US disclosed