SCHEMBL11028571

SCHEMBL11028571

C=CCc1c(OC(=O)C(=C)C)cccc1-n1nc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.38
HPGD P15428 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 5/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
SRD5A1 P18405 2/20 0.35
APLNR P35414 1/20 0.35
IGF2BP2 Q9Y6M1 1/20 0.34
THRB P10828 1/20 0.34
ELANE P08246 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL4444755 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL16966565 0.76 SRD5A1 (0.41) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL11821006 0.72 SRD5A1 (0.38) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL29575333 0.72 NPC1 (0.78) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL285733 0.72 NPC1 (0.78) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3398506 0.71 KDM4E (0.46) SMN1; SMN2ALDH1A1MAPTTDP1KDM4E
SCHEMBL6571738 0.71 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28065049 0.71 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4444701 0.70 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2228926 0.70 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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-4611061-A 2'-hydroxy-5'-(hydroxyalkyl)phenyl-2H-benzotriazoles IOLAB CORPORATION (US) 1986-09-09 US disclosed