SCHEMBL27533705

SCHEMBL27533705

C/C=C/C=C/C(=O)Oc1cccc2cc3c4cc5ccccc5cc4c4cc5ccccc5cc4c3cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ PGR P06401 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ HPGD P15428 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RAB9A P51151 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL20788563 0.86 ALDH1A1 (0.53) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL8610203 0.82 HTR1A (0.37) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL11511940 0.77 KDM4E (0.45) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL8613432 0.77 KMT2A (0.50) ALDH1A1HSD17B10KDM4EMAPTKMT2A
SCHEMBL8613434 0.77 KMT2A (0.50) ALDH1A1HSD17B10KDM4EMAPTKMT2A
SCHEMBL17138211 0.76 KMT2A (0.47) GAAMAPK1KDM4EKMT2AMEN1
SCHEMBL17138213 0.76 KMT2A (0.47) GAAMAPK1KDM4EKMT2AMEN1
SCHEMBL1338968 0.75 HSD17B10 (0.57) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL1338970 0.75 HSD17B10 (0.57) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL27722932 0.74 TYMS (0.43) ALDH1A1HSD17B10GAAPGRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1252824-A Composition containing slip agent and anti-caking agent DOW CHEMICAL CO (US) 2000-05-10 — — CN claimed
CN-1256705-A Polymer compositions having improved elongation DOW CHEMICAL CO (US) 2000-06-14 — — CN disclosed
CN-1252824-A Composition containing slip agent and anti-caking agent DOW CHEMICAL CO (US) 2000-05-10 — — CN disclosed
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