SCHEMBL6775481

SCHEMBL6775481

Cc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3F)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
NOD2 Q9HC29 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ECE1 P42892 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PSMD14 O00487 1/20 0.36
POLB P06746 1/20 0.36
DNMT1 P26358 1/20 0.36
APOBEC3A P31941 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
SCHEMBL6773425 0.89 PLA2G2A (0.42) ALDH1A1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL6898392 0.88 L3MBTL1 (0.44) ALDH1A1KDM4ENPC1RAB9ANOD2
SCHEMBL6693619 0.88 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1RAB9ANOD2
SCHEMBL6773681 0.88 ALDH1A1 (0.42) ALDH1A1KDM4ENPC1RAB9ANOD2
SCHEMBL6773917 0.87 ALDH1A1 (0.44) ALDH1A1KDM4ENPC1RAB9ANOD2
SCHEMBL6776472 0.87 PLA2G2A (0.44) ALDH1A1KDM4ENOD2L3MBTL1MAPT
SCHEMBL6776254 0.87 CD38 (0.41) ALDH1A1TSHRKMT2AMEN1HTT
SCHEMBL6774832 0.87 CD38 (0.44) ALDH1A1KDM4EKMT2AMEN1AURKA
SCHEMBL6776187 0.87 ALDH1A1 (0.42) ALDH1A1KDM4ENPC1RAB9ANOD2
SCHEMBL6781636 0.86 MCL1 (0.45) KDM4EKMT2AMEN1AURKARPS6KB1

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