SCHEMBL8638728

SCHEMBL8638728

CCc1cc(Sc2ccc(OC(C)C)cc2)ccc1OCC=C(Br)Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A3 P47895 1/20 0.32
PTGIR P43119 1/20 0.32
KMT2A Q03164 2/20 0.31
ACACB O00763 2/20 0.31
SRD5A2 P31213 1/20 0.31
PARP10 Q53GL7 1/20 0.31
ERN1 O75460 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ACACA Q13085 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
SCHEMBL8635717 0.91 NR1H2 (0.35) SMN1; SMN2LMNATHRBGAACYP1A2
SCHEMBL8638883 0.89 HTT (0.36) SMN1; SMN2LMNATHRBGAAHPGD
SCHEMBL8636447 0.86 PLAU (0.36) SMN1; SMN2LMNATHRBGAAHPGD
SCHEMBL8634953 0.80 PPARG (0.37) GAAHPGDPOLBALDH1A3KMT2A
SCHEMBL8907787 0.80 PPARA (0.34) SMN1; SMN2LMNATHRBGAACYP1A2
SCHEMBL8633489 0.78 GABRA1 (0.34) SMN1; SMN2LMNATHRBNPSR1POLB
SCHEMBL8632153 0.76 PLAU (0.35) SMN1; SMN2LMNAGAAHPGDNPSR1
SCHEMBL8632346 0.76 PPARG (0.40)
SCHEMBL8631583 0.74 NPC1 (0.41) SMN1; SMN2LMNAHPGDNPSR1POLB
SCHEMBL8635932 0.74 ACACB (0.35) GAACYP1A2CYP2D6CYP2C19POLB

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