SCHEMBL7979429

SCHEMBL7979429

C=CCN(CC=C)C(=O)CCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PYGL P06737 1/20 0.32
THRB P10828 1/20 0.32
F2 P00734 3/20 0.32
MAPT P10636 1/20 0.31
PLAU P00749 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
SCHEMBL7977902 0.99 ALDH1A1 (0.40) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7979406 0.86 NPC1 (0.46) ALDH1A1CYP1A2CYP2D6NPC1HPGD
SCHEMBL7982048 0.84 THRB (0.41) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7982102 0.83 THRB (0.42) NPC1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL7976243 0.83 PYGL (0.33) NPC1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL8895765 0.83 LSS (0.39) ALDH1A1MEN1KMT2AHTTF2
SCHEMBL8894477 0.81 F2 (0.40) ALDH1A1MEN1KMT2AHTTF2
SCHEMBL7965637 0.81 PYGL (0.43) CYP3A4HTTPYGLTHRBPLAU
SCHEMBL8408754 0.80 HTT (0.39) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7635582 0.78 MEN1 (0.34) MEN1CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP disclosed
WO-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 WO disclosed