SCHEMBL3349172

SCHEMBL3349172

CCOCCCCCCOCC.COCCCCCCOC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ HTT P42858 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CES2 O00748 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PRKD3 O94806 1/20 0.31
▸ PRKCG P05129 1/20 0.31
▸ PRKCB P05771 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ PRKCH P24723 1/20 0.31

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
SCHEMBL15028761 1.00 ALDH1A1 (0.42) ALDH1A1HTTMEN1THRBKMT2A
SCHEMBL11794549 1.00 ALDH1A1 (0.42) ALDH1A1HTTMEN1THRBKMT2A
SCHEMBL29314964 1.00 ALDH1A1 (0.42) ALDH1A1HTTMEN1THRBKMT2A
SCHEMBL5956557 0.97 — —
SCHEMBL31021559 0.92 THRB (0.41) ALDH1A1HTTMEN1THRBKMT2A
SCHEMBL28983025 0.91 ALDH1A1 (0.43) ALDH1A1HTTTHRBTDP1HPGD
SCHEMBL5344 0.91 — —
SCHEMBL25829986 0.89 MEN1 (0.44) ALDH1A1HTTMEN1THRBKMT2A
SCHEMBL29928454 0.89 MEN1 (0.44) ALDH1A1HTTMEN1THRBKMT2A
SCHEMBL18544635 0.89 MEN1 (0.44) ALDH1A1HTTMEN1THRBKMT2A

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
US-20100120998-A1 CATALYST COMPONENT FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2010-05-13 — — US disclosed
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