Endrin

Endrin

SCHEMBL8707183

ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl.ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H]([C@@H]4C=C[C@H]3C4)[C@@]1(Cl)C2(Cl)Cl

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.77
TSHR P16473 4/20 0.77
MAPK14 Q16539 1/20 0.77
MAPT P10636 1/20 0.71
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NR1I2 O75469 2/20 0.38
HIF1A Q16665 1/20 0.38
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRR1 P24046 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA6 Q16445 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSP90AA1 P07900 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
Endrin SCHEMBL10671688 1.00 CYP3A4 (0.77) CYP3A4TSHRMAPK14MAPTLMNA
Endrin SCHEMBL9751494 0.88 CYP3A4 (0.60) CYP3A4TSHRMAPK14MAPTLMNA
Endrin SCHEMBL26100507 0.88 CYP3A4 (1.00) CYP3A4TSHRMAPK14MAPTLMNA
Endrin SCHEMBL22946184 0.88 CYP3A4 (1.00) CYP3A4TSHRMAPK14MAPTLMNA
Endrin SCHEMBL72828 0.88 CYP3A4 (1.00) CYP3A4TSHRMAPK14MAPTLMNA
Endrin SCHEMBL10414610 0.88 CYP3A4 (1.00) CYP3A4TSHRMAPK14MAPTLMNA
Endrin SCHEMBL20885948 0.88 CYP3A4 (1.00) CYP3A4TSHRMAPK14MAPTLMNA
Endrin SCHEMBL21820798 0.88 CYP3A4 (1.00) CYP3A4TSHRMAPK14MAPTLMNA
Dieldrin SCHEMBL72829 0.88 CYP3A4 (1.00) CYP3A4TSHRMAPK14MAPTLMNA
Dieldrin SCHEMBL29549662 0.86 CYP3A4 (0.96) CYP3A4TSHRMAPK14MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729351-A4 VESICLES WITH CONTROLLED RELEASE OF ACTIVES DEPOTECH CORP (US) 1998-02-04 EP disclosed
EP-0729351-A1 VESICLES WITH CONTROLLED RELEASE OF ACTIVES DEPOTECH CORPORATION (US) 1996-09-04 EP disclosed
WO-1995013796-A1 VESICLES WITH CONTROLLED RELEASE OF ACTIVES DEPOTECH CORPORATION (US) 1995-05-26 WO disclosed
US-5209604-A Soil decontamination SHELL OIL COMPANY (US) 1993-05-11 US disclosed
US-4919819-A ADSORPTION FROM AQUEOUS SLURRY ONTO REHYDRATABLE ALUMINA, FILTRATION; REGENERATING ALUMINA BY HEATING GEM, INC. (US) 1990-04-24 US disclosed