SCHEMBL21782022

SCHEMBL21782022

Cc1ccc2c(c1)c(C(=O)CCCC(=O)O)c(C(O)CCCCCc1ccc(F)cc1)n2C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OXER1 Q8TDS5 12/20 0.54
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PLA2G4A P47712 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 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
SCHEMBL21782153 0.91 OXER1 (0.66) OXER1
SCHEMBL21781996 0.82 OXER1 (0.77) OXER1
SCHEMBL21782028 0.79 OXER1 (0.69) OXER1
SCHEMBL18126622 0.79 OXER1 (0.85) OXER1
SCHEMBL21782189 0.77 OXER1 (0.78) OXER1
SCHEMBL21782203 0.75 OXER1 (0.68) OXER1
SCHEMBL21781998 0.74 OXER1 (0.60) OXER1
SCHEMBL21782183 0.70 OXER1 (0.84) OXER1
SCHEMBL18126621 0.70 OXER1 (1.00) OXER1
SCHEMBL20014577 0.69 OXER1 (0.74) OXER1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277665-B1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIV (CA) 2020-03-04 — — EP disclosed
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