SCHEMBL25386273

SCHEMBL25386273

CCOC(=O)Cc1ccc(OC)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 6/20 0.44
▸ POLB P06746 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 6/20 0.43
▸ GAA P10253 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL11377802 0.88 KDM4E (0.50) SMN1; SMN2KDM4EMAPTHSD17B10L3MBTL1
SCHEMBL25386128 0.88 PPARG (0.48) PPARGSMN1; SMN2KDM4EPOLBMAPT
SCHEMBL25386200 0.88 ALDH1A1 (0.52) PPARGSMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL13387961 0.86 POLB (0.50) SMN1; SMN2KDM4EPOLBMAPTHSD17B10
SCHEMBL12093646 0.83 PPARG (0.48) PPARGSMN1; SMN2KDM4EMAPTHSD17B10
SCHEMBL1399960 0.83 HSD17B10 (0.63) SMN1; SMN2KDM4EPOLBMAPTHSD17B10
SCHEMBL13469239 0.82 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EPOLBMAPTHSD17B10
SCHEMBL21455751 0.82 ALDH1A1 (0.53) PPARGKDM4EPOLBMAPTHSD17B10
SCHEMBL21437412 0.82 POLB (0.59) PPARGPOLBHSD17B10NPC1RAB9A
SCHEMBL13742193 0.82 PPARG (0.47) PPARGSMN1; SMN2KDM4EPOLBMAPT

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
WO-2023165591-A1 COMPOUNDS AND THEIR USES AS LPAR5 ANTAGONISTS IMMUTHER PHARMATECH (SHANGHAI) CO., LTD. (CN) 2023-09-07 — — WO disclosed
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