SCHEMBL8634072

SCHEMBL8634072

COc1cccc(Oc2ccc(OCC=C(Br)Br)c(C(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1B P49286 6/20 0.40
THRB P10828 1/20 0.40
RORC P51449 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
MTNR1A P48039 3/20 0.38
ADRA2A P08913 2/20 0.37
ADRA1A P35348 2/20 0.37
ACACB O00763 1/20 0.37

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
SCHEMBL8635020 0.89 LTA4H (0.40) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8635821 0.88 MEN1 (0.46) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8634095 0.87 THRB (0.40) KDM4ETHRBRORCFFAR1ADRB1
SCHEMBL8635552 0.86 FFAR4 (0.40) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8634769 0.84 LTA4H (0.42) MEN1KMT2AL3MBTL1KDM4ETHRB
SCHEMBL8637643 0.84 THRB (0.40) THRBRORCP2RX3P2RX2ACACB
SCHEMBL8632604 0.83 ACACB (0.37) CYP1A2CYP2C19KMT2APOLBTHRB
SCHEMBL8632315 0.81 KDM4E (0.38) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8632594 0.80 MAPT (0.43) CYP3A4CYP2C19L3MBTL1KDM4EPOLB
SCHEMBL8631880 0.79 PTGDR (0.37) MEN1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648729-B1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL CO (JP) 1998-07-15 EP disclosed
US-5698702-A INTERMEDIATES FOR INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-16 US disclosed
US-5530015-A Dihaloprene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient, and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-25 US disclosed
EP-0648729-A1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed