SCHEMBL6774469

SCHEMBL6774469

CC(C)c1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3Cc3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 9/20 0.41
PLA2G1B P04054 2/20 0.41
IDH1 O75874 1/20 0.35
ADRB2 P07550 3/20 0.35
ADRB1 P08588 3/20 0.35
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
CYP2D6 P10635 2/20 0.35
ADRA2A P08913 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL6689186 0.90 PLA2G2A (0.46) PLA2G2APLA2G1BADRB2ADRB1ADRA1D
SCHEMBL6896161 0.90 HSP90AA1 (0.40) PLA2G2APLA2G1BCYP2D6ALDH1A1CYP1A2
SCHEMBL6774350 0.89 PLA2G2A (0.40) PLA2G2APLA2G1BIDH1PLA2G10PLA2G5
SCHEMBL6774281 0.89 PLA2G2A (0.40) PLA2G2AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL6775713 0.87 PLA2G2A (0.43) PLA2G2APLA2G1BADRA1DCYP2D6CYP1A2
SCHEMBL6777538 0.86 PLA2G2A (0.44) PLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL6776234 0.86 PLA2G2A (0.47) PLA2G2APLA2G1BADRA1DPLA2G10PLA2G5
SCHEMBL6770455 0.86 CD38 (0.38) PLA2G2AALDH1A1
SCHEMBL6775004 0.86 ALDH1A1 (0.42) PLA2G2AADRA1DCYP2D6KDM4EALDH1A1
SCHEMBL6776187 0.86 ALDH1A1 (0.42) CYP2D6KDM4EALDH1A1LMNAHSD17B10

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