SCHEMBL7014331

SCHEMBL7014331

Cc1cc2c(OCc3ccccc3)cccn2c1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.49
ATP4B P51164 3/20 0.49
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLA2G1B P04054 3/20 0.41
LIPE Q05469 1/20 0.40
MAPK14 Q16539 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 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
SCHEMBL7018281 0.86 PLA2G1B (0.49) ATP4AATP4BMAPK1MEN1KMT2A
SCHEMBL8011739 0.85 PLA2G1B (0.58) L3MBTL1PLA2G1BSMN1; SMN2
SCHEMBL7011597 0.84 ATP4A (0.44) ATP4AATP4BMAPK1MEN1KMT2A
SCHEMBL8012079 0.81 ABCB1 (0.48) MAPK1MEN1KMT2AMAPTL3MBTL1
SCHEMBL7010577 0.80 HTR1A (0.46) ATP4AATP4BMAPK1MEN1KMT2A
SCHEMBL7010964 0.79 PLA2G1B (0.47) ATP4AATP4BMAPK1MEN1KMT2A
SCHEMBL7006186 0.79 PLA2G1B (0.48) ATP4AATP4BMAPK1MEN1KMT2A
SCHEMBL7014295 0.75 PLA2G1B (0.49) ATP4AATP4BMAPK1MEN1KMT2A
SCHEMBL8321751 0.74 L3MBTL1 (0.46) ATP4AATP4BMAPK1MEN1KMT2A
SCHEMBL7013035 0.74 ABCB1 (0.52) ATP4AATP4BPLA2G1BHTR1ADRD2

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