SCHEMBL7648311

SCHEMBL7648311

CCCOc1cc(CCC)c(O)c(C(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ GRM2 Q14416 1/20 0.41
▸ CYSLTR2 Q9NS75 7/20 0.40
▸ CYSLTR1 Q9Y271 7/20 0.40
▸ PRKCI P41743 1/20 0.40
▸ MAOB P27338 3/20 0.39
▸ LTB4R Q15722 1/20 0.39
▸ LTB4R2 Q9NPC1 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CA9 Q16790 1/20 0.37
▸ SLC5A1 P13866 1/20 0.37

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
SCHEMBL9377031 0.89 MAOB (0.40) PPARGPPARDPPARALMNACYP1A2
SCHEMBL28743467 0.87 PPARG (0.41) PPARGPPARALMNACYSLTR2CYSLTR1
Bromide SCHEMBL9383528 0.80 CYSLTR2 (0.41) PPARGPPARDPPARALMNACYP1A2
SCHEMBL11022202 0.79 POLB (0.46) PPARGPPARDPPARALMNACYP1A2
SCHEMBL11020870 0.79 POLB (0.46) PPARGPPARDPPARALMNACYP1A2
SCHEMBL9376210 0.77 PTPN1 (0.50) LMNAMAPTPRKCIKMT2A
SCHEMBL25329716 0.75 LTA4H (0.46) LMNACYP2C9KMT2AL3MBTL1CA9
SCHEMBL1415014 0.73 MAOB (0.58) PPARDMAOBKMT2A
SCHEMBL11558997 0.73 ALDH1A1 (0.45) PPARGPPARALMNAMAPTGRM2
SCHEMBL12428822 0.73 MAOB (0.44) PPARGPPARDPPARALMNACYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479671-B1 Process for producing optically active chromene derivative SHIONOGI & CO., LTD. (JP) 2002-11-12 — — US disclosed
US-6218427-B1 AS ENDOTHELIN RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. (JP) 2001-04-17 — — US disclosed
EP-1057824-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2000-12-06 — — EP disclosed
EP-0924207-A1 CHROMENE-3-CARBOXYLATE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-06-23 — — EP disclosed
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