SCHEMBL9436540

SCHEMBL9436540

CC(C)CCOC(=O)C1OC1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.39
▸ CAPN1 P07384 7/20 0.37
▸ LGALS3 P17931 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CTSL P07711 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSG P08311 1/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ PKM P14618 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9436539 1.00 PPARG (0.39) PPARGCAPN1LGALS3CA12CA1
SCHEMBL29307606 0.77 PPARG (0.38) PPARGCAPN1LGALS3CA12CA1
SCHEMBL9127580 0.76 TSHR (0.47) CAPN1LGALS3CTSLLMNACTSB
SCHEMBL29902551 0.76 TSHR (0.47) CAPN1LGALS3CTSLLMNACTSB
SCHEMBL9436547 0.76 TSHR (0.47) CAPN1LGALS3CTSLLMNACTSB
SCHEMBL11184816 0.73 CAPN1 (0.49) PPARGCAPN1CTSLLMNACTSB
SCHEMBL11170652 0.73 CAPN1 (0.41) PPARGCAPN1CA12CA1CA2
SCHEMBL11184819 0.72 CAPN1 (0.40) PPARGCAPN1CA12CA1CA2
SCHEMBL9436546 0.71 — —
SCHEMBL9436545 0.71 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296615-A Process and intermediates for chiral epoxides ELI LILLY AND COMPANY (US) 1994-03-22 — — US disclosed
US-5256807-A Process and intermediates for chiral epoxides ELI LILLY AND COMPANY (US) 1993-10-26 — — US disclosed
US-5183910-A Process and intermediates for chiral epoxides ELI LILLY AND COMPANY (US) 1993-02-02 — — US disclosed
US-5097049-A PROCESS AND INTERMEDIATES FOR CHIRAL EPOXIDES ELI LILLY AND COMPANY (US) 1992-03-17 — — US disclosed
EP-0455473-A1 Process and intermediates for chiral epoxides ELI LILLY AND COMPANY (US) 1991-11-06 — — EP disclosed
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