SCHEMBL6218880

SCHEMBL6218880

CCOC(=O)C(C)(C)c1c[nH]c2ccc(O)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ GLA P06280 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ SPR P35270 3/20 0.45
▸ NR4A1 P22736 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 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
SCHEMBL20424854 0.86 GABRA1 (0.57) GABRA1GABRB2MTNR1AMTNR1B
SCHEMBL5808051 0.81 TRPM8 (0.59) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL6222643 0.80 NPSR1 (0.51) ALDH1A1HPGDLMNANPSR1GLA
SCHEMBL30202324 0.80 MTNR1A (0.43) KDM4EGABRA1GABRB2HTR1DMTNR1A
SCHEMBL11369338 0.78 NPSR1 (0.50) ALDH1A1HPGDLMNANPSR1GLA
SCHEMBL11369340 0.78 NPSR1 (0.50) ALDH1A1HPGDLMNANPSR1GLA
SCHEMBL24513290 0.76 HTR1D (0.48) ALDH1A1HPGDLMNANPSR1GLA
SCHEMBL2050904 0.75 GABRA1 (0.61) GAAALDH1A1HPGDLMNASPR
SCHEMBL5433672 0.75 HTR2C (0.49) ALDH1A1HPGDLMNANPSR1GLA
SCHEMBL23552891 0.75 HTR2C (0.49) ALDH1A1HPGDLMNANPSR1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 — — EP disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 — — EP disclosed
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 — — EP disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 — — WO disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 — — WO disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 — — WO disclosed
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