SCHEMBL11140829

SCHEMBL11140829

CCCCOc1ccc(-c2cc(N)c3c(c2O)C(=O)c2c(N)cc(-c4ccc(OCCCC)cc4)c(O)c2C3=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ XDH P47989 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MGAM O43451 2/20 0.41
▸ SI P14410 2/20 0.41
▸ MGAM2 Q2M2H8 2/20 0.41

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
SCHEMBL11122832 0.97 NR5A1 (0.46) GPR84RAB9AGAANPC1MAPT
SCHEMBL11047837 0.93 NQO1 (0.46) GPR84RAB9AGAANPC1MAPT
SCHEMBL10937102 0.93 GPR84 (0.42) GPR84RAB9AGAANPC1MAPT
SCHEMBL10865187 0.91 NQO1 (0.44) GPR84RAB9AGAANPC1MAPT
SCHEMBL21207360 0.91 GPR84 (0.40) GPR84RAB9AGAANPC1MAPT
SCHEMBL10937617 0.91 GPR84 (0.40) GPR84RAB9AGAANPC1MAPT
SCHEMBL11291438 0.90 GPR84 (0.38) GPR84RAB9AGAANPC1MAPT
SCHEMBL21042664 0.90 ALDH2 (0.40) GPR84RAB9AGAANPC1MAPT
SCHEMBL9089167 0.90 NQO1 (0.44) GPR84RAB9AGAANPC1MAPT
SCHEMBL10935351 0.90 NR5A1 (0.42) GPR84RAB9AGAANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4376715-A AN ANTHROQUINONE PLEOCHROIC DYE EBAUCHES S.A. (CH) 1983-03-15 — — US claimed
US-4376715-A AN ANTHROQUINONE PLEOCHROIC DYE EBAUCHES S.A. (CH) 1983-03-15 — — US disclosed
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