SCHEMBL8324753

SCHEMBL8324753

O=C(c1ccccc1-c1ccccc1)c1c(C2CC2)cc2c(OCc3ccccc3)cccn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
MCL1 Q07820 1/20 0.41
PTGER1 P34995 9/20 0.41
PTGER4 P35408 5/20 0.41
PTGER3 P43115 5/20 0.41
PTGER2 P43116 5/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
BCL2L1 Q07817 1/20 0.38
PPIA P62937 1/20 0.38
FFAR2 O15552 1/20 0.38
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL7010603 0.86 MRGPRX4 (0.42) PTGER1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7013840 0.84 PLA2G1B (0.47) RXRARXRBRXRGMCL1PTGER1
SCHEMBL7017573 0.80 MEN1 (0.42) PTGER1MEN1KMT2AALDH1A1SGMS2
SCHEMBL8318865 0.79 PLA2G1B (0.48) RXRARXRBRXRGMCL1PTGER1
SCHEMBL8324082 0.77 PLA2G1B (0.47) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL7013764 0.77 PLA2G1B (0.58) RXRARXRBRXRGMCL1PTGER1
SCHEMBL7010577 0.74 HTR1A (0.46) MEN1KMT2AATP4AATP4BHTR1A
SCHEMBL7015597 0.72 PLA2G1B (0.54) MEN1KMT2AALDH1A1PLA2G1B
SCHEMBL7007210 0.71 PLA2G1B (0.53) RXRARXRBRXRGPTGER1PLA2G1B
SCHEMBL7006648 0.71 PLA2G1B (0.44) PTGER1MEN1KMT2ANPSR1ALDH1A1

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-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