SCHEMBL6891308

SCHEMBL6891308

COC(=O)c1cccc2c1c1c(O)cc(C(C)C)cc1n2Cc1ccccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
NOX4 Q9NPH5 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 6/20 0.40
GALR3 O60755 1/20 0.39
RAB9A P51151 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
DPP4 P27487 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
ADORA2A P29274 1/20 0.36
ALOX5AP P20292 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL6781858 0.90 TSHR (0.45) TSHRNOX4RXFP1ALDH1A1GALR3
SCHEMBL6891000 0.88 GRIN1 (0.43) TSHRNOX4RXFP1ALDH1A1GALR3
SCHEMBL6692711 0.87 ALDH1A1 (0.46) TSHRNOX4RXFP1ALDH1A1GALR3
SCHEMBL6887101 0.87 NOX4 (0.42) TSHRNOX4RXFP1ALDH1A1GALR3
SCHEMBL6896480 0.87 GRIN1 (0.45) TSHRNOX4RXFP1ALDH1A1GALR3
SCHEMBL6894947 0.87 MAPT (0.41) TSHRALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL6898120 0.86 HSP90AA1 (0.37) TSHRNOX4ALDH1A1KDM4EHSD17B10
SCHEMBL6887085 0.86 MAPT (0.44) ALDH1A1RAB9AKDM4EHPGDALOX5AP
SCHEMBL6898407 0.86 YWHAH (0.43) TSHRALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL6894579 0.85 MAPK8 (0.45) ALDH1A1KDM4EHSD17B10HPGDLMNA

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