SCHEMBL13870253

SCHEMBL13870253

CC(C)(C)c1ccc2c(ccc3oc(=O)c(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8cc9c(ccc%10cc(C(C)(C)C)ccc%109)oc8=O)cc7)cc6)cc5)cc4)cc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ KDM4E B2RXH2 7/20 0.42
▸ MAPT P10636 6/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ MAOB P27338 3/20 0.39
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ MIF P14174 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL13869313 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL13869270 0.88 MAOB (0.44) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL13870256 0.84 KDM4E (0.57) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL13870230 0.83 KDM4E (0.58) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL13870236 0.83 KDM4E (0.58) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL13869238 0.82 MAPT (0.51) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL13869282 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL13869288 0.81 MAPT (0.53) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL13869378 0.79 KDM4E (0.45) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL13869512 0.79 MAPT (0.43) ALDH1A1KDM4EMAPTHPGDALOX15

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-7521567-B2 Amine compound and uses thereof KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-21 — — US disclosed
US-7521567-B2 Amine compound and uses thereof KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-21 — — US disclosed
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