SCHEMBL5207084

SCHEMBL5207084

CCCCCCCCOC(=O)CCc1ccccc1-n1nnc2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.44
▸ EPHX2 P34913 5/20 0.41
▸ KCNMA1 Q12791 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ P2RY10 O00398 3/20 0.39
▸ GPR34 Q9UPC5 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ CNR1 P21554 1/20 0.37

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
SCHEMBL6297309 0.80 EPHX2 (0.39) RXRAEPHX2KCNMA1P2RX7CNR1
SCHEMBL2728740 0.69 CYP4F2 (0.52) ALDH1A1P2RY10GPR34
SCHEMBL11025009 0.69 SLC9A1 (0.52) KCNMA1
SCHEMBL12919745 0.68 EPHX2 (0.41) EPHX2ALDH1A1P2RY10CNR1
SCHEMBL1244695 0.68 ASAH1 (0.44) RXRAKCNMA1
SCHEMBL23880040 0.67 SLC9A1 (0.64) ALDH1A1KDM4E
SCHEMBL15796532 0.66 TSHR (0.48) ALDH1A1P2RY10GPR34KDM4E
SCHEMBL19066804 0.65 TDP1 (0.72) ALDH1A1P2RY10
SCHEMBL23581130 0.65 TDP1 (0.72) ALDH1A1P2RY10
SCHEMBL7636074 0.65 TDP1 (0.72) ALDH1A1P2RY10

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-1853660-A1 STABILIZATION OF POLYOL OR POLYURETHANE COMPOSITIONS AGAINST THERMAL OXIDATION Ciba Specialty Chemicals Holding Inc. (CH) 2007-11-14 — — EP disclosed
WO-2006092363-A1 STABILIZATION OF POLYOL OR POLYURETHANE COMPOSITIONS AGAINST THERMAL OXIDATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-09-08 — — WO disclosed
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