SCHEMBL29387879

SCHEMBL29387879

COc1ncc(-c2cc(C3CCCCC3)c(OC)nn2)c(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.37
▸ QPCTL Q9NXS2 1/20 0.37
▸ ACP1 P24666 1/20 0.36
▸ ALOX5AP P20292 4/20 0.35
▸ FEN1 P39748 4/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ PLAU P00749 2/20 0.33
▸ LDHA P00338 1/20 0.33
▸ LDHB P07195 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33

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
SCHEMBL22869354 1.00 QPCT (0.37) QPCTQPCTLACP1ALOX5APFEN1
SCHEMBL30477942 0.96 ALOX5AP (0.38) QPCTQPCTLACP1ALOX5APFEN1
SCHEMBL22869345 0.96 ALOX5AP (0.38) QPCTQPCTLACP1ALOX5APFEN1
SCHEMBL22869347 0.94 QPCT (0.39) QPCTQPCTLACP1ALOX5APFEN1
SCHEMBL29386863 0.94 QPCT (0.39) QPCTQPCTLACP1ALOX5APFEN1
SCHEMBL22869358 0.88 HSD11B1 (0.36) QPCTQPCTLACP1ALOX5APFEN1
SCHEMBL29386867 0.88 HSD11B1 (0.36) QPCTQPCTLACP1ALOX5APFEN1
SCHEMBL22869370 0.85 MDM2 (0.36) QPCTQPCTLACP1ALOX5APFEN1
SCHEMBL29384847 0.85 MDM2 (0.36) QPCTQPCTLACP1ALOX5APFEN1
SCHEMBL22869318 0.84 QPCT (0.36) QPCTQPCTLACP1PPARDCYP1A2

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-3759096-B1 CD73 INHIBITORS LILLY CO ELI (US) 2022-02-16 — — EP disclosed
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