SCHEMBL6894814

SCHEMBL6894814

CCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
GAA P10253 3/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PLA2G2A P14555 8/20 0.43
TSHR P16473 1/20 0.43
THRB P10828 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40

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
SCHEMBL6897434 0.93 MAPT (0.39) MAPTGAAPKMALDH1A1PLA2G2A
SCHEMBL6897303 0.93 PLA2G2A (0.42) MAPTGAAPKMALDH1A1PLA2G2A
SCHEMBL6896777 0.92 FAAH (0.44) MAPTGAAPKMALDH1A1THRB
SCHEMBL6893888 0.92 PLA2G2A (0.47) MAPTALDH1A1PLA2G2ATHRBKMT2A
SCHEMBL6897168 0.91 PLA2G1B (0.44) MAPTGAAPKMALDH1A1PLA2G2A
SCHEMBL6889689 0.90 MAPT (0.47) MAPTGAAPKMALDH1A1THRB
SCHEMBL5212605 0.90 MAPK8 (0.42) MAPTGAAPKMALDH1A1PLA2G2A
SCHEMBL6895418 0.89 L3MBTL1 (0.45) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL6895193 0.89 POLB (0.39) MAPTGAATHRBNPSR1L3MBTL1
SCHEMBL6890571 0.89 MAPT (0.45) MAPTGAAALDH1A1PLA2G2AKMT2A

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