SCHEMBL13869536

SCHEMBL13869536

CC1(C)c2cc(-c3nc(-c4cc5c(ccc6ccccc65)oc4=O)nc(-c4cc5c(ccc6ccccc65)oc4=O)n3)ccc2-c2ccc(-c3cc4c(ccc5ccccc54)oc3=O)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.49
▸ ALDH1A1 P00352 9/20 0.49
▸ KDM4E B2RXH2 8/20 0.49
▸ HPGD P15428 3/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ ESR1 P03372 2/20 0.48
▸ LMNA P02545 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ GAA P10253 3/20 0.43
▸ MAOB P27338 1/20 0.43
▸ PIM1 P11309 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL13869795 0.83 KDM4E (0.53) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL13869266 0.77 ALDH1A1 (0.66) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL17152014 0.76 ALDH1A1 (0.33) ALDH1A1HPGDTSHRHSD17B10MEN1
SCHEMBL13869775 0.76 ALDH1A1 (0.41) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL13869335 0.76 ALDH1A1 (0.64) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL19131575 0.76 ALDH1A1 (0.38) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL13869554 0.76 KDM4E (0.50) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL19132267 0.76 PGR (0.35) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL19824449 0.76 PGR (0.39) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL12133788 0.75 ENPP1 (0.42) MAPTALDH1A1KDM4EHPGDTSHR

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-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 — — US disclosed
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 — — US disclosed
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