SCHEMBL8002569

SCHEMBL8002569

COC(=O)Cc1ccccc1Oc1cccc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.54
MEN1 O00255 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
SLC1A5 Q15758 1/20 0.53
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
USP2 O75604 1/20 0.47
DGAT2 Q96PD7 1/20 0.47
P2RX4 Q99571 1/20 0.47
MTNR1A P48039 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PGR P06401 1/20 0.45
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL9151951 0.99 MTNR1B (0.53) MTNR1BMEN1TSHRKMT2ASLC1A5
SCHEMBL9150938 0.91 KDM4E (0.48) MTNR1BMEN1TSHRKMT2ASLC1A5
SCHEMBL9155397 0.87 CAMK2A (0.49) MTNR1BMEN1TSHRKMT2ASLC1A5
SCHEMBL9152146 0.87 SLC1A5 (0.57) MTNR1BMEN1TSHRKMT2ASLC1A5
SCHEMBL7254516 0.87 SLC6A4 (0.56) MTNR1BMEN1TSHRKMT2ASLC1A5
SCHEMBL837233 0.86 RIPK1 (0.51) MEN1TSHRKMT2AKDM4EPOLB
SCHEMBL9152712 0.86 MAOB (0.45) MTNR1BMEN1TSHRKMT2ASLC1A5
SCHEMBL9148385 0.86 SLC1A5 (0.56) MTNR1BMEN1TSHRKMT2ASLC1A5
SCHEMBL9151211 0.85 MEN1 (0.45) MTNR1BMEN1TSHRKMT2ASLC1A5
SCHEMBL2562353 0.84 KDM4E (0.52) MTNR1BMEN1KMT2ASLC1A5KDM4E

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-6022870-A 4-(HETEROCYCLE-SUBSTITUTED-PHENYL)-1,2,4-TRIAZOL-3-ONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-02-08 US disclosed
EP-0729461-B1 FUNGICIDAL CYCLIC AMIDES DU PONT (US) 1999-11-24 EP disclosed
US-5977149-A Dihydrotriazole compounds and their use for controlling fungal plant diseases E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-02 US disclosed
US-5747516-A Dihydroazole compounds and their use for controlling fungal plant diseases E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-05-05 US disclosed
WO-1996036615-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO disclosed
EP-0729461-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-04 EP disclosed
US-5468857-A Phenylmethoxypropenoic esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-11-21 US disclosed
WO-1995014009-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-05-26 WO disclosed
EP-0307103-B1 Fungicides ZENECA LTD (GB) 1994-09-21 EP disclosed
US-5334748-A A methyl 2-aryl heterofunctional phenoxyphenyl-3-methoxy-propenoate compound; treating the plant diseases IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 US disclosed
EP-0307103-A2 Fungicides ZENECA LIMITED (GB) 1989-03-15 EP disclosed