SCHEMBL13869828

SCHEMBL13869828

CC(C)(C)c1ccc2c(ccc3oc(=O)c(-c4cnc(-c5cc6ccccc6oc5=O)cn4)cc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.42
▸ KDM4E B2RXH2 11/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ HPGD P15428 5/20 0.42
▸ LMNA P02545 3/20 0.42
▸ GLA P06280 3/20 0.42
▸ MAPT P10636 10/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CA9 Q16790 1/20 0.41
▸ RAB9A P51151 8/20 0.41
▸ NPC1 O15118 6/20 0.41
▸ TP53 P04637 3/20 0.41
▸ MAOB P27338 1/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ POLB P06746 3/20 0.40

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
SCHEMBL13869818 0.92 ALOX5AP (0.40) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL13869468 0.91 ALOX5AP (0.40) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL13869827 0.90 MAPT (0.43) ALDH1A1KDM4EHPGDLMNAGLA
SCHEMBL13869843 0.82 MAPT (0.39) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL13869452 0.82 PIM1 (0.42) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL13869282 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL13869814 0.80 MAPT (0.60) ALDH1A1KDM4EHPGDLMNAGLA
SCHEMBL13869378 0.79 KDM4E (0.45) ALDH1A1KDM4EHPGDLMNAGLA
SCHEMBL13869474 0.79 MAPT (0.59) ALDH1A1KDM4EHPGDLMNAGLA
SCHEMBL13869617 0.78 KDM4E (0.44) ALDH1A1KDM4EHPGDLMNAGLA

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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