SCHEMBL7979030

SCHEMBL7979030

Cc1cc(O)cc(Cl)c1OCCCC(=O)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
DEGS1 O15121 3/20 0.43
NPC1 O15118 2/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.42
RPS6KA3 P51812 1/20 0.41
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL7965794 0.97 DEGS1 (0.47) GAAPOLBLMNADEGS1NPC1
SCHEMBL7965473 0.93 LMNA (0.47) GAAPOLBLMNADEGS1NPC1
SCHEMBL7976313 0.90 DEGS1 (0.48) GAAPOLBLMNADEGS1NPC1
SCHEMBL8067304 0.88 GAA (0.47) GAAPOLBLMNADEGS1NPC1
SCHEMBL7975955 0.87 ALDH1A1 (0.49) POLBLMNA
SCHEMBL7073309 0.84 GAA (0.42) GAAPOLBNPC1L3MBTL1RAB9A
SCHEMBL7978803 0.84 ALDH1A1 (0.48)
SCHEMBL7071524 0.83 GAA (0.42) GAAPOLBNPC1L3MBTL1RAB9A
SCHEMBL21533576 0.82 SETD1B (0.57) GAALMNA
SCHEMBL7965693 0.80 ALDH1A1 (0.50) POLBLMNA

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 6 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
US-6028100-A Dihalopropene compounds, insecticides containing them as active ingredients, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-22 US disclosed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 US disclosed
EP-0824514-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-02-25 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