SCHEMBL15977384

SCHEMBL15977384

CC(C)OC(=O)C1C(C)(C)C1(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL15977342 0.86 TSHR (0.40) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL15977320 0.84 TSHR (0.42) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL11215105 0.78 TSHR (0.37) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL19301930 0.77 HTT (0.37) TSHRALDH1A1
SCHEMBL15977356 0.75 TSHR (0.34) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL12132942 0.74 TSHR (0.37) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL15977355 0.72 TSHR (0.32) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL15977300 0.72 TSHR (0.32) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL17414152 0.71 TSHR (0.35) TSHR
SCHEMBL1577528 0.67 TSHR (0.34) TSHRKDM4EUSP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008596-B2 Cytochrome P450 BM3 enzyme variants for preparation of cyclopropanes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-05-18 US disclosed
US-20190211367-A1 VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-11 US disclosed
US-10208322-B2 In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-02-19 US disclosed
US-20170247725-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-08-31 US disclosed
US-20170247725-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-08-31 US disclosed
US-9493799-B2 In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-11-15 US disclosed
US-9487471-B1 Synthesis of pyrethroids and pyrethroid-containing compositions PROVIVI, INC. (US) 2016-11-08 US disclosed
US-20160032330-A1 P-450-CATALYZED ENANTIOSELECTIVE CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-02-04 US disclosed
US-20160002682-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES UNITED STATES DEPARTMENT OF ENERGY 2016-01-07 US disclosed
US-8993262-B2 In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-03-31 US disclosed
US-20140242647-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-08-28 US disclosed