SCHEMBL7010964

SCHEMBL7010964

CCc1cc2c(OCc3ccccc3)cccn2c1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 9/20 0.47
ATP4A P20648 3/20 0.41
ATP4B P51164 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
CARM1 Q86X55 2/20 0.39
PRMT1 Q99873 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL7011597 0.94 ATP4A (0.44) PLA2G1BATP4AATP4BMEN1KMT2A
SCHEMBL7006186 0.88 PLA2G1B (0.48) PLA2G1BATP4AATP4BMEN1KMT2A
SCHEMBL7014295 0.87 PLA2G1B (0.49) PLA2G1BATP4AATP4BMEN1KMT2A
SCHEMBL7010500 0.87 PLA2G1B (0.55) PLA2G1B
SCHEMBL7013035 0.84 ABCB1 (0.52) PLA2G1BATP4AATP4B
SCHEMBL7016240 0.82 ATM (0.44) PLA2G1BATP4AATP4BPSEN1PSEN2
SCHEMBL8323820 0.82 PLA2G1B (0.51) PLA2G1BATP4AATP4B
SCHEMBL8012905 0.81 PLA2G1B (0.60) PLA2G1B
SCHEMBL7014264 0.81 PLA2G1B (0.42) PLA2G1BATP4AATP4BMEN1KMT2A
SCHEMBL8321751 0.80 L3MBTL1 (0.46) PLA2G1BATP4AATP4BMEN1KMT2A

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
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
EP-0772596-A4 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 1999-01-13 EP disclosed
EP-0772596-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed