SCHEMBL8498207

SCHEMBL8498207

CCCCc1cc(CCCC)cc(OC(=O)Oc2ccccc2C(=O)OCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.47
▸ TDP1 Q9NUW8 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ PPARG P37231 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL8498516 0.95 PPARA (0.46) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL5706128 0.89 PTGS2 (0.51) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL8500732 0.89 SLC6A3 (0.47) L3MBTL1ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL5705977 0.85 PTGS2 (0.49) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL5705980 0.85 PTGS2 (0.49) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL5706145 0.85 PTGS2 (0.49) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL5706112 0.85 PTGS2 (0.49) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL8500704 0.85 SLC6A3 (0.45) TSHRALDH1A1HSD17B10LMNAKDM4E
SCHEMBL5706125 0.83 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL1283310 0.82 TSHR (0.69) TSHRTDP1L3MBTL1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764673-B1 Process for the production of polycarbonate TEIJIN LTD (JP) 1999-11-17 — — EP disclosed
US-5696222-A MELT POLYCONDENSATION OF AN AROMATIC DIHYDROXY COMPOUND AND DIPHENYLCARBONATE, THEN ADDING A SPECIFIC CARBONATE OR CARBOCYCLIC ESTER TO FORM TERMINAL BLOCKED POLYCARBONATE TEIJIN LIMITED (JP) 1997-12-09 — — US disclosed
EP-0764673-A2 Process for the production of polycarbonate TEIJIN LIMITED (JP) 1997-03-26 — — EP disclosed
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