SCHEMBL15977356

SCHEMBL15977356

CC(C)OC(=O)C1C(C)(C)C12CC2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
HSD11B1 P28845 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL15977355 0.92 TSHR (0.32) TSHRHSD11B1KDM4EUSP2ALDH1A1
SCHEMBL15977320 0.81 TSHR (0.42) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL17414690 0.79 ALDH1A1 (0.39) TSHRHSD11B1ALDH1A1
SCHEMBL15977384 0.75 TSHR (0.37) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL11215105 0.75 TSHR (0.37) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL12132942 0.75 TSHR (0.37) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL17489512 0.71 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL15977342 0.70 TSHR (0.40) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL15977300 0.69 TSHR (0.32) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL15977367 0.69 FFAR3 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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