SCHEMBL3859829

SCHEMBL3859829

BrCOc1ccc(C2OCCCO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38
HPGD P15428 5/20 0.35
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL11978140 0.82 NQO1 (0.50) HPGDTDP1SMN1; SMN2ALDH1A1TP53
SCHEMBL9778602 0.79 MAOB (0.47) KCNH2HRH3HPGDTDP1ALDH1A1
SCHEMBL4609655 0.79 KCNH2 (0.38) KCNH2HRH3SMN1; SMN2ALDH1A1MAPT
SCHEMBL9779134 0.78 KDM4E (0.45) KCNH2HRH3HPGDSMN1; SMN2MAPT
SCHEMBL9778840 0.78 MAOB (0.49) KCNH2HRH3HPGDTDP1ALDH1A1
SCHEMBL9778697 0.78 KDM4E (0.44) KCNH2HRH3SMN1; SMN2ALDH1A1LMNA
SCHEMBL9451018 0.78 MEN1 (0.41) SMN1; SMN2ALDH1A1MAPTTSHRLMNA
SCHEMBL4741399 0.77 KCNH2 (0.40) KCNH2HRH3ALDH1A1MAPTLMNA
SCHEMBL9778581 0.77 LMNA (0.50) HRH3SMN1; SMN2TP53MAPTLMNA
SCHEMBL9778740 0.77 DRD2 (0.43) KCNH2HRH3HPGDSMN1; SMN2ALDH1A1

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
EP-1828127-A4 INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-äÝ4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL¨-(4-PIPERIDYL)üMETHANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-04-29 EP disclosed
EP-1828127-A2 INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-äÝ4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL¨-(4-PIPERIDYL)üMETHANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-09-05 EP disclosed
WO-2006065659-A2 INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-{[4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL]-(4-PIPERIDYL)}METHANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-06-22 WO disclosed