SCHEMBL30546897

SCHEMBL30546897

Cc1cc(C(=O)O)ncc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ASPH Q12797 2/20 0.45
KDM8 Q8N371 2/20 0.45
RIOX2 Q8IUF8 1/20 0.45
SRD5A2 P31213 1/20 0.39
P4HTM Q9NXG6 6/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 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
SCHEMBL11894710 0.80 KMO (0.46) KDM4EASPHKDM8RIOX2P4HTM
SCHEMBL29272155 0.79 KDM4E (0.41) KDM4EASPHKDM8P4HTMALDH1A1
SCHEMBL31032278 0.79 KDM4E (0.41) KDM4EASPHKDM8P4HTMALDH1A1
SCHEMBL30546833 0.76 KDM4E (0.49) KDM4EASPHKDM8RIOX2P4HTM
SCHEMBL15350397 0.75 KDM4E (0.40) KDM4EASPHKDM8P4HTMALDH1A1
SCHEMBL30546859 0.74 EGLN2 (0.37) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL7083217 0.70 KDM4E (0.50) KDM4EASPHKDM8P4HTMALDH1A1
SCHEMBL9853727 0.69 ESR2 (0.44) SRD5A2LMNAKMT2A
SCHEMBL21078911 0.69 KDM4E (0.37) KDM4EASPHKDM8P4HTMALDH1A1
SCHEMBL21078949 0.69 MAPT (0.42) KDM4EASPHKDM8P4HTMALDH1A1

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
CN-116670131-A PHD inhibitor compounds, compositions, and methods of use 阿克比治疗有限公司 2023-08-29 CN disclosed