SCHEMBL6894773

SCHEMBL6894773

COC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.43
MAPK8 P45983 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CCR8 P51685 3/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
PLA2G2A P14555 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AR P10275 1/20 0.38
PLA2G1B P04054 1/20 0.37
PKM P14618 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
SCHEMBL6895281 0.94 FAAH (0.44) FAAHCCR8MAPT
SCHEMBL6896777 0.91 FAAH (0.44) FAAHALDH1A1CCR8MAPTTP53
SCHEMBL6691213 0.91 FAAH (0.46) FAAHALDH1A1CCR8MAPTTP53
SCHEMBL6896588 0.91 PLA2G2A (0.44) FAAHMAPK8ALDH1A1MAPTTHRB
SCHEMBL6694644 0.91 AR (0.45) MAPK8ALDH1A1MAPTTHRBPLA2G2A
SCHEMBL6896220 0.90 FAAH (0.43) FAAHALDH1A1CCR8MAPTTP53
SCHEMBL6885056 0.88 MAPT (0.46) MAPK8ALDH1A1MAPTTP53THRB
SCHEMBL6898378 0.88 ACMSD (0.39) MAPK8ALDH1A1MAPTTHRBPLA2G2A
SCHEMBL6770280 0.88 PLA2G2A (0.40) FAAHALDH1A1CCR8PLA2G2AGAA
SCHEMBL6892310 0.88 FAAH (0.41) FAAHALDH1A1CCR8MAPTTP53

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