SCHEMBL6887101

SCHEMBL6887101

CCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3ccccc3C#N)c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.41
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40
DPP4 P27487 2/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2B Q13224 3/20 0.40
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 3/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37

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 0.91 NOX4 (0.39) NOX4RXFP1ALDH1A1TSHRGALR3
SCHEMBL6775552 0.90 TSHR (0.43) NOX4RXFP1ALDH1A1TSHRGALR3
SCHEMBL6891000 0.89 GRIN1 (0.43) NOX4RXFP1ALDH1A1TSHRGALR3
SCHEMBL6692711 0.89 ALDH1A1 (0.46) NOX4RXFP1ALDH1A1TSHRGALR3
SCHEMBL6896480 0.89 GRIN1 (0.45) NOX4RXFP1ALDH1A1TSHRGALR3
SCHEMBL6891308 0.87 TSHR (0.42) NOX4RXFP1ALDH1A1TSHRGALR3
SCHEMBL6894723 0.86 MAPT (0.45) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL6895819 0.85 GRIN1 (0.50) NOX4RXFP1ALDH1A1TSHRGALR3
SCHEMBL6892130 0.85 HSP90AA1 (0.38) NOX4ALDH1A1TSHRRAB9AKDM4E
SCHEMBL6892764 0.85 LMNA (0.44) RXFP1ALDH1A1TSHRKDM4ESMN1; 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