SCHEMBL6775835

SCHEMBL6775835

NC(=O)c1cccc2c1c1c(O)cc(-c3ccc(Cl)cc3)cc1n2Cc1ccccc1Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.41
KCNH2 Q12809 1/20 0.41
CTNNB1 P35222 1/20 0.40
PPARA Q07869 1/20 0.38
PLA2G2A P14555 3/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
BRD4 O60885 1/20 0.36
ICMT O60725 1/20 0.36
SYK P43405 1/20 0.36
P2RX3 P56373 1/20 0.36
SLC1A5 Q15758 1/20 0.36
MAPK8 P45983 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PNLIP P16233 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
SCHEMBL6776025 0.94 CTNNB1 (0.43) CTNNB1PLA2G2APTGDR2BRD4SYK
SCHEMBL6893122 0.90 CCR8 (0.40) CCR8KCNH2PPARAPTGDR2ALDH1A1
SCHEMBL7969644 0.89 PLA2G2A (0.46) PLA2G2APLA2G1B
SCHEMBL6774857 0.86 FAAH (0.43) CCR8KCNH2PPARAPLA2G2AICMT
SCHEMBL6777226 0.86 ADRA1D (0.43) PLA2G2AALDH1A1L3MBTL1GAA
SCHEMBL6774146 0.86 CTNNB1 (0.49) CTNNB1PLA2G2APTGDR2ALDH1A1L3MBTL1
SCHEMBL27526328 0.85 CCR8 (0.39) CCR8KCNH2CTNNB1PPARAPLA2G2A
SCHEMBL6775902 0.85 PLA2G2A (0.42) PLA2G2APTGDR2PLA2G1B
SCHEMBL6771899 0.85 CTNNB1 (0.43) CTNNB1PLA2G2APTGDR2BRD4SYK
SCHEMBL6690216 0.85 PLA2G2A (0.43) PLA2G2AALDH1A1L3MBTL1PLA2G1B

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