SCHEMBL7770452

SCHEMBL7770452

CC(C)(C)OC(=O)C1OC1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
EPHX1 P07099 4/20 0.51
ABCB1 P08183 1/20 0.45
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPK1 P28482 1/20 0.37
RORC P51449 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7772636 1.00 TSHR (0.61) TSHREPHX1ABCB1RECQLMEN1
SCHEMBL16303826 1.00 TSHR (0.61) TSHREPHX1ABCB1RECQLMEN1
SCHEMBL9488854 1.00 TSHR (0.61) TSHREPHX1ABCB1RECQLMEN1
SCHEMBL14967207 0.87 TSHR (0.50) TSHREPHX1ABCB1RECQLMEN1
SCHEMBL7776125 0.85 EPHX1 (0.53) TSHREPHX1ABCB1RECQLMEN1
SCHEMBL14967144 0.85 TSHR (0.45) TSHRRECQLTP53HPGDALDH1A1
SCHEMBL7760857 0.85 TSHR (0.45) TSHRRECQLTP53HPGDALDH1A1
SCHEMBL4024959 0.82 MAOB (0.48) TSHRMEN1TP53CYP1A2CYP2C19
SCHEMBL7770852 0.82 RIPK1 (0.43) TSHREPHX1TP53CYP2C19KMT2A
SCHEMBL7776122 0.82 RIPK1 (0.43) TSHREPHX1TP53CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821679-B1 ASYMMETRIC EPOXIDES, THEIR SYNTHESIS AND USE CHIROTECH TECHNOLOGY LTD (GB) 2001-07-11 EP claimed
US-10301397-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2019-05-28 US disclosed
US-20160340447-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2016-11-24 US disclosed
US-9458270-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2016-10-04 US disclosed
EP-2780177-B1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORP (JP) 2016-03-23 EP disclosed
US-20140296445-A1 Method For Producing Polydienes And Polydiene Copolymers With Reduced Cold Flow BRIDGESTONE CORPORATION (JP) 2014-10-02 US disclosed
EP-2780177-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW Bridgestone Corporation (JP) 2014-09-24 EP disclosed
WO-2013075074-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2013-05-23 WO disclosed
EP-0821679-B1 ASYMMETRIC EPOXIDES, THEIR SYNTHESIS AND USE CHIROTECH TECHNOLOGY LTD (GB) 2001-07-11 EP disclosed
US-6228955-B1 CATALYTIC EPOXIDATION OF A CORRESPONDING PROCHIRALM, NON-ENOLIZABLE A/B-UNSATURATED KETONE CHIROTECH TECHNOLOGY, LTD. (GB) 2001-05-08 US disclosed
EP-0821679-A1 ASYMMETRIC EPOXIDES, THEIR SYNTHESIS AND USE Chiroscience Limited (GB) 1998-02-04 EP disclosed
WO-1996033183-A1 ASYMMETRIC EPOXIDES, THEIR SYNTHESIS AND USE CHIROSCIENCE LIMITED (GB) 1996-10-24 WO disclosed
US-4924012-A Process for preparing derivatives of baccatine III and of 10-deacetyl baccatine III RHONE-POULENC SANTE (FR) 1990-05-08 US disclosed