SCHEMBL29958263

SCHEMBL29958263

OB(O)c1cccc(COc2cccc3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.60
MAPT P10636 3/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ENPP2 Q13822 4/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
F2 P00734 1/20 0.49
LIPE Q05469 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
DAO P14920 1/20 0.45
HTR1B P28222 2/20 0.44
DHFR P00374 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 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
SCHEMBL25285122 1.00 MRGPRX4 (0.60) MRGPRX4MAPTHPGDNPC1LMNA
SCHEMBL30518379 0.85 MAPT (0.58) MRGPRX4MAPTHPGDNPC1LMNA
SCHEMBL257756 0.85 MAPT (0.58) MRGPRX4MAPTHPGDNPC1LMNA
SCHEMBL2560724 0.82 GPR84 (0.55) MRGPRX4MAPTHPGDNPC1LMNA
SCHEMBL2557998 0.81 NPC1 (0.59) MRGPRX4MAPTHPGDNPC1RAB9A
SCHEMBL2557545 0.81 MRGPRX4 (0.59) MRGPRX4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27629 0.79 MRGPRX4 (0.67) MRGPRX4MAPTHPGDNPC1LMNA
SCHEMBL29568609 0.79 MRGPRX4 (0.67) MRGPRX4MAPTHPGDNPC1LMNA
SCHEMBL2553887 0.78 ENPP2 (0.51) MRGPRX4MAPTLMNAENPP2ALDH1A1
SCHEMBL9389089 0.78 LIPE (0.51) MRGPRX4MAPTNPC1RAB9ASMN1; SMN2

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-118715015-A Selective PHD1 inhibitor compounds, compositions and methods of use 阿克比治疗有限公司 2024-09-27 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