SCHEMBL6775713

SCHEMBL6775713

Cc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3Cc3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 11/20 0.43
PLA2G1B P04054 3/20 0.43
PLA2G10 O15496 2/20 0.37
PLA2G5 P39877 2/20 0.37
PLA2G2E Q9NZK7 2/20 0.37
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
ADRA1D P25100 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KLK1 P06870 1/20 0.35
HSP90AA1 P07900 2/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL6773425 0.89 PLA2G2A (0.42) PLA2G2AMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL6690357 0.89 PLA2G2A (0.51) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6888834 0.89 HSP90AA1 (0.41) PLA2G2APLA2G1BMEN1CYP1A2CYP3A4
SCHEMBL6776234 0.89 PLA2G2A (0.47) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6773103 0.89 PLA2G2A (0.44) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6776217 0.89 PLA2G2A (0.44) PLA2G2APLA2G1BPLA2G10PLA2G5BCL2
SCHEMBL6692861 0.88 PLA2G2A (0.46) PLA2G2APLA2G1BPLA2G10BCL2BCL2L1
SCHEMBL6774469 0.87 PLA2G2A (0.41) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6774300 0.86 PLA2G2A (0.48) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6775481 0.85 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2

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-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed