SCHEMBL31125998

SCHEMBL31125998

C=CC(C)(C)c1cc(C(=O)OC)cc(OC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ IDH1 O75874 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ UGT1A1 P22309 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ ABCC1 P33527 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ FUT7 Q11130 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 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
SCHEMBL402234 0.79 NOTUM (0.50) KDM4ELMNAGAAPOLBNFKB1
Syringate SCHEMBL159392 0.78 CA12 (0.67) KDM4ELMNAGAAPOLBNFKB1
SCHEMBL2311990 0.77 CA12 (0.56) PTPN1KDM4ELMNAGAAIDH1
SCHEMBL1465618 0.74 KDM4E (0.77) KDM4ELMNAGAAABCC1POLB
SCHEMBL30594704 0.74 KDM4E (0.77) KDM4ELMNAGAAABCC1POLB
SCHEMBL17655667 0.73 KDM4E (0.57) PTPN1KDM4ELMNAGAAPOLB
SCHEMBL3548293 0.72 POLB (0.48) PTPN1KDM4ELMNAGAAPOLB
SCHEMBL9145572 0.72 KDM4E (0.55) KDM4ELMNAGAAPOLBNFKB1
SCHEMBL402146 0.72 KDM4E (0.55) KDM4ELMNAGAAPOLBNFKB1
SCHEMBL755528 0.71 GAA (0.59) KDM4ELMNAGAAPOLBNFKB1

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
EP-4417252-A2 CANNABIS BASED THERAPEUTIC AND METHOD OF USE Yuzu LV LLC (US) 2024-08-21 — — EP disclosed
Send feedback