SCHEMBL29954144

SCHEMBL29954144

Cc1cc(B(O)O)ccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.57
FFAR4 Q5NUL3 4/20 0.56
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
MRGPRX4 Q96LA9 6/20 0.48
ENPP2 Q13822 2/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
FFAR1 O14842 2/20 0.44
C5AR1 P21730 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
STAT3 P40763 1/20 0.43
HTT P42858 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL1163386 1.00 LIPE (0.57) LIPEFFAR4MAPTTDP1L3MBTL1
SCHEMBL20371015 0.88 LIPE (0.57) LIPEFFAR4MAPTTDP1L3MBTL1
SCHEMBL29958132 0.88 LIPE (0.57) LIPEFFAR4MAPTTDP1L3MBTL1
SCHEMBL28606699 0.86 LIPE (0.68) LIPEFFAR4MAPTTDP1L3MBTL1
SCHEMBL16320521 0.85 LIPE (0.57) LIPEMAPTTDP1L3MBTL1MAPK1
SCHEMBL6833481 0.85 ENPP2 (0.52) FFAR4MAPTL3MBTL1MRGPRX4ENPP2
SCHEMBL29956215 0.83 NPC1 (0.57) LIPEENPP2SMN1; SMN2CYP2C9
SCHEMBL4329673 0.83 SMPD1 (0.56) LIPEMAPK1MRGPRX4ENPP2RXRA
SCHEMBL906202 0.83 NPC1 (0.57) LIPEENPP2SMN1; SMN2CYP2C9
SCHEMBL8453 0.81 ENPP2 (0.66) LIPEMAPTMRGPRX4ENPP2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119816487-A FC conjugates comprising CD73 inhibitors and uses thereof 奇达拉治疗公司 2025-04-11 CN disclosed
CN-113861188-B Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor 杭州医学院 2023-02-28 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed