SCHEMBL6776313

SCHEMBL6776313

CCCCCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3C#N)c2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
ALDH1A1 P00352 3/20 0.39
GALR3 O60755 1/20 0.39
RAB9A P51151 1/20 0.39
NOX4 Q9NPH5 1/20 0.39
PPARG P37231 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 3/20 0.35
LMNA P02545 2/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL6895661 0.90 NOX4 (0.39) TSHRALDH1A1GALR3RAB9ANOX4
SCHEMBL6775552 0.90 TSHR (0.43) TSHRALDH1A1GALR3RAB9ANOX4
SCHEMBL6778663 0.87 CNR2 (0.42) TSHRALDH1A1PPARGSMN1; SMN2GAA
SCHEMBL6782670 0.86 ALDH1A1 (0.39) TSHRALDH1A1RAB9APPARGLMNA
SCHEMBL6771775 0.86 PPARG (0.39) PPARG
SCHEMBL6775148 0.86 CNR1 (0.42) ALDH1A1PPARG
SCHEMBL7967684 0.86 PLA2G2A (0.42) PPARGTP53
SCHEMBL6778298 0.86 CNR1 (0.43) PPARG
SCHEMBL6778112 0.86 PPARG (0.40) PPARG
SCHEMBL5212214 0.85 PPARG (0.46) PPARG

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