SCHEMBL28491464

SCHEMBL28491464

COc1cc(OCC(=O)O)c(C=O)c(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.53
▸ PTPN1 P18031 2/20 0.51
▸ ELANE P08246 4/20 0.49
▸ CTSG P08311 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ FFAR1 O14842 5/20 0.48
▸ PPARD Q03181 5/20 0.48
▸ PPARG P37231 3/20 0.48
▸ PPARA Q07869 3/20 0.48
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ LTB4R Q15722 1/20 0.46
▸ LTB4R2 Q9NPC1 1/20 0.46
▸ F2 P00734 1/20 0.46

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
SCHEMBL29846122 1.00 HDAC8 (0.53) HDAC8PTPN1ELANECTSGPOLB
SCHEMBL21957648 0.91 HDAC8 (0.54) HDAC8SMN1; SMN2PPARG
SCHEMBL31562473 0.89 HDAC8 (0.50) HDAC8POLBSMN1; SMN2LMNA
SCHEMBL31562314 0.89 L3MBTL1 (0.51) HDAC8PTPN1ELANESMN1; SMN2FFAR1
SCHEMBL31562872 0.87 ABCB1 (0.49) HDAC8PTPN1POLBSMN1; SMN2LMNA
SCHEMBL28491465 0.87 ABCB1 (0.49) HDAC8PTPN1POLBSMN1; SMN2LMNA
SCHEMBL15348526 0.85 ERN1 (0.63) HDAC8PTPN1SMN1; SMN2LMNA
SCHEMBL31562597 0.85 PPARD (0.52) HDAC8POLBSMN1; SMN2FFAR1PPARD
SCHEMBL5556434 0.85 LMNA (0.57) HDAC8POLBSMN1; SMN2PPARDPPARG
SCHEMBL31562742 0.84 PTGDR2 (0.58) PTPN1ELANEPOLBSMN1; SMN2PTGDR2

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-112074521-B Compounds as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 深圳信立泰药业股份有限公司 2022-08-09 — — CN disclosed
CN-112074521-A Compounds as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 深圳信立泰药业股份有限公司 2020-12-11 — — CN disclosed
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