SCHEMBL7006665

SCHEMBL7006665

CCc1cc2c(OCc3ccccc3)cccn2c1C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 3/20 0.43
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 3/20 0.41
MRGPRX4 Q96LA9 3/20 0.40
ATP4A P20648 3/20 0.40
ATP4B P51164 3/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36

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
SCHEMBL7014844 0.88 ATM (0.48) PLA2G1BRXRARXRBRXRGMRGPRX4
SCHEMBL9080274 0.85 PLA2G1B (0.45) PLA2G1BMRGPRX4NR4A2PTGER1
SCHEMBL7016240 0.84 ATM (0.44) PLA2G1BRXRARXRBRXRGMRGPRX4
SCHEMBL7011444 0.82 ATP4A (0.43) PLA2G1BRXRARXRBRXRGMRGPRX4
SCHEMBL7005845 0.81 ABCB1 (0.47) PLA2G1BMRGPRX4ATP4AATP4BMAPT
SCHEMBL7013814 0.79 ATP4A (0.42) PLA2G1BMRGPRX4ATP4AATP4BMAPT
SCHEMBL7006648 0.79 PLA2G1B (0.44) PLA2G1BATP4AATP4BMAPTMEN1
SCHEMBL8320616 0.79 MRGPRX4 (0.45) PLA2G1BRXRARXRBRXRGMRGPRX4
SCHEMBL7013840 0.78 PLA2G1B (0.47) PLA2G1BRXRARXRBRXRGATP4A
SCHEMBL7005971 0.78 MRGPRX4 (0.45) PLA2G1BMRGPRX4ATP4AATP4BMAPT

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-6645976-B1 Nonpancreatic secretory phospholipase (sPLA2) supressors such as 2-(3-Benzyl-8-hydroxy-2-ethylindolizin-1-yl)acetamide, administered to control release of fatty acid and prevent the arachidonic acid cascade; septic shock ELI LILLY AND COMPANY 2003-11-11 US disclosed
EP-0772596-B1 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 2003-10-01 EP disclosed
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed