SCHEMBL29953019

SCHEMBL29953019

CCCOc1cc(B(O)O)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.44
ENPP2 Q13822 2/20 0.43
FABP4 P15090 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TTR P02766 2/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LPL P06858 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
SCHEMBL4881084 1.00 CSNK2A1 (0.44) CSNK2A1ENPP2FABP4ALDH1A1MEN1
SCHEMBL29956963 0.92 ENPP2 (0.43) ENPP2ALDH1A1MEN1USP2POLB
SCHEMBL182934 0.87 ENPP2 (0.57) CSNK2A1ENPP2ALDH1A1MEN1USP2
SCHEMBL29956646 0.86 ENPP2 (0.46) ENPP2ALDH1A1POLBMAPTHPGD
SCHEMBL2854999 0.86 ENPP2 (0.46) ENPP2ALDH1A1POLBMAPTHPGD
SCHEMBL2561475 0.85 L3MBTL1 (0.46) ENPP2ALDH1A1MEN1USP2POLB
SCHEMBL3791885 0.84 MAPT (0.47) CSNK2A1ENPP2ALDH1A1MEN1USP2
SCHEMBL2551648 0.83 UTS2R (0.46) ENPP2ALDH1A1MEN1MAPTKMT2A
SCHEMBL31469079 0.82 ALDH1A1 (0.50) ENPP2ALDH1A1MEN1USP2POLB
SCHEMBL7420999 0.80 HSD17B10 (0.44) ENPP2ALDH1A1MEN1USP2POLB

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed