SCHEMBL13372071

SCHEMBL13372071

CCCCc1ccc2oc(-c3ccc(-c4nc5cc(C(C)CC)ccc5o4)s3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.41
▸ KDM4E B2RXH2 8/20 0.41
▸ HSD17B10 Q99714 7/20 0.41
▸ HPGD P15428 5/20 0.41
▸ RAB9A P51151 9/20 0.39
▸ MEN1 O00255 8/20 0.39
▸ KMT2A Q03164 8/20 0.39
▸ MAPT P10636 8/20 0.39
▸ NPC1 O15118 7/20 0.39
▸ TP53 P04637 6/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ UTRN P46939 1/20 0.37
▸ ALOX15 P16050 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL11649131 0.89 KDM4E (0.47) ALDH1A1KDM4EHSD17B10HPGDRAB9A
SCHEMBL13866097 0.89 RAB9A (0.46) ALDH1A1KDM4EHSD17B10HPGDRAB9A
SCHEMBL30129872 0.89 RAB9A (0.46) ALDH1A1KDM4EHSD17B10HPGDRAB9A
SCHEMBL23630624 0.79 MAPT (0.54) ALDH1A1KDM4EHSD17B10HPGDRAB9A
SCHEMBL29859231 0.79 MAPT (0.54) ALDH1A1KDM4EHSD17B10HPGDRAB9A
SCHEMBL8995192 0.79 GPR119 (0.43) HSD17B10MEN1KMT2AUTRNCASP3
SCHEMBL20052138 0.78 MEN1 (0.41) ALDH1A1KDM4EHSD17B10HPGDRAB9A
SCHEMBL23630617 0.76 MAPT (0.62) ALDH1A1KDM4EHSD17B10HPGDRAB9A
SCHEMBL29859543 0.76 MAPT (0.61) ALDH1A1KDM4EHSD17B10HPGDRAB9A
SCHEMBL23630613 0.76 MAPT (0.61) ALDH1A1KDM4EHSD17B10HPGDRAB9A

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-7723412-B2 Stabilization of thermoplastic nanocomposites CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 — — US disclosed
EP-1592741-B1 STABILIZATION OF THERMOPLASTIC NANOCOMPOSITES CIBA HOLDING INC (CH) 2009-01-14 — — EP disclosed
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