SCHEMBL29636345

SCHEMBL29636345

OC(CCc1ccccc1)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
SLC5A2 P31639 1/20 0.48
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MIF P14174 1/20 0.46
CYP2C19 P33261 2/20 0.45
POLB P06746 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
AGTR1 P30556 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
PKM P14618 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN7 P35236 1/20 0.44
BLM P54132 1/20 0.44
ESR2 Q92731 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL23089936 0.91 KMT2A (0.47) KMT2ASLC5A2HSD17B10USP2ALOX15
SCHEMBL9764695 0.82 MIF (0.59) KMT2ASLC5A2HSD17B10USP2ALOX15
SCHEMBL7578243 0.82 MIF (0.59) KMT2ASLC5A2HSD17B10USP2ALOX15
SCHEMBL28824509 0.78 KMT2A (0.53) KMT2AUSP2NPSR1MIFCYP2C19
SCHEMBL3184008 0.76 KMT2A (0.45) KMT2ASLC5A2HSD17B10USP2ALOX15
SCHEMBL1933837 0.75 KMT2A (0.44) KMT2ASLC5A2HSD17B10USP2ALOX15
SCHEMBL6576563 0.75 KMT2A (0.44) KMT2ASLC5A2HSD17B10USP2ALOX15
SCHEMBL22660731 0.75 KMT2A (0.44) KMT2ASLC5A2HSD17B10USP2ALOX15
SCHEMBL22660732 0.75 KMT2A (0.44) KMT2ASLC5A2HSD17B10USP2ALOX15
SCHEMBL10942351 0.75 TSHR (0.47) KMT2ASLC5A2HSD17B10USP2ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868105-B Photopolymerizable sensitizer composition 川崎化成工业株式会社 2022-05-13 CN claimed
CN-111868105-B Photopolymerizable sensitizer composition 川崎化成工业株式会社 2022-05-13 CN disclosed