SCHEMBL31412877

SCHEMBL31412877

[2H]COc1cc(C(C(=O)OCC)C(=O)OCC)c(C(=O)O)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MYC P01106 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RCE1 Q9Y256 1/20 0.39
▸ HMGCR P04035 1/20 0.37
▸ DPP4 P27487 2/20 0.36
▸ GFER P55789 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2339344 0.93 TSHR (0.49) TSHRHSD17B10KDM4EMAPK1LCK
SCHEMBL30575711 0.92 TSHR (0.43) TSHRHSD17B10KDM4EMAPK1LCK
SCHEMBL14914576 0.87 TSHR (0.47) TSHRHSD17B10KDM4EMAPK1LCK
SCHEMBL14914573 0.82 LCK (0.51) TSHRHSD17B10KDM4EMAPK1LCK
SCHEMBL14915377 0.78 ALDH1A1 (0.47) TSHRHSD17B10KDM4EALDH1A1LMNA
SCHEMBL12245587 0.76 LCK (0.55) TSHRHSD17B10KDM4EMAPK1LCK
SCHEMBL31609523 0.74 DPP4 (0.42) KDM4EKMT2AMEN1MAPTKDM1A
SCHEMBL24257971 0.73 SMN1; SMN2 (0.48) TSHRHSD17B10KDM4EMAPK1MAPT
SCHEMBL30575774 0.73 SMN1; SMN2 (0.48) TSHRHSD17B10KDM4EMAPK1MAPT
SCHEMBL5240208 0.71 LCK (0.53) TSHRKDM4EMAPK1LCKFYN

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-119403800-A Compounds and their use as LPAR5 antagonists 艾美斐生物医药科技(上海)有限公司 2025-02-07 — — CN disclosed
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