SCHEMBL12028081

SCHEMBL12028081

Cc1c2ccccc2nn1-c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 3/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CNR1 P21554 3/20 0.34
▸ CNR2 P34972 3/20 0.34
▸ LMNA P02545 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MPO P05164 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ SLC34A1 Q06495 1/20 0.30
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL29354035 0.80 NPC1 (0.46) ESR2ESR1ALDH1A1CYP3A4CNR1
SCHEMBL29903 0.80 NPC1 (0.46) ESR2ESR1ALDH1A1CYP3A4CNR1
SCHEMBL8680885 0.77 KCNMA1 (0.48) ESR2ESR1ALDH1A1CYP3A4CNR1
Drometrizole SCHEMBL1011957 0.76 NPC1 (0.62) ESR2ESR1ALDH1A1CYP3A4CNR1
SCHEMBL5510301 0.75 NPC1 (0.41) ESR2ESR1ALDH1A1CYP3A4CNR1
SCHEMBL8855668 0.75 ESR2 (0.37) ESR2ESR1ALDH1A1CYP3A4CNR1
SCHEMBL15083635 0.74 NPC1 (0.46) ESR2ESR1ALDH1A1CYP3A4CNR1
SCHEMBL30393631 0.74 NPC1 (0.45) ESR2ESR1ALDH1A1CYP3A4CNR1
SCHEMBL6558920 0.74 NPC1 (0.45) ESR2ESR1ALDH1A1CYP3A4CNR1
SCHEMBL1499910 0.74 NPC1 (0.45) ESR2ESR1ALDH1A1CYP3A4CNR1

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
EP-2397510-A1 High concentration pelletized additive concentrates for polymer Ingenia Polymers Inc. (US) 2011-12-21 — — EP disclosed
WO-2008033410-A1 HIGH CONCENTRATION PELLETIZED ADDITIVE CONCENTRATES FOR POLYMER INGENIA POLYMERS INC. (US) 2008-03-20 — — WO disclosed
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