SCHEMBL15977337

SCHEMBL15977337

CC(C)CC1C(C(=O)OC(C)C)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
LMNA P02545 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2128973 0.83 TSHR (0.38) TSHRLMNAMEN1KMT2APOLB
SCHEMBL15977348 0.83 ALDH1A1 (0.33) LMNAGAAALDH1A1HSD17B10
SCHEMBL295989 0.80 LMNA (0.47) TSHRLMNAGAAALDH1A1
SCHEMBL295677 0.77 TSHR (0.33) TSHRLMNAMEN1KMT2A
SCHEMBL1150586 0.77 TSHR (0.42) TSHRLMNAMEN1KMT2A
SCHEMBL16675275 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11644539 0.76 RNPEP (0.32)
SCHEMBL1685650 0.75 LMNA (0.34) TSHRLMNAMEN1KMT2A
SCHEMBL7635976 0.74 TSHR (0.44) TSHRLMNAMEN1KMT2APOLB
SCHEMBL1685631 0.74 PRKCA (0.35) TSHR

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