SCHEMBL17692576

SCHEMBL17692576

CNC(=O)c1cc(Oc2ccc(C(=O)O)c(C(=O)NC(C)COCC(C)C)c2)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ HPSE Q9Y251 1/20 0.39
▸ TDP1 Q9NUW8 4/20 0.38
▸ BRAF P15056 3/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37

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
SCHEMBL17692571 0.88 XDH (0.38) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL17692570 0.84 MEN1 (0.38) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL17692573 0.80 MEN1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL15315484 0.78 POLB (0.54) ALDH1A1HPSETDP1BRAFHDAC1
SCHEMBL12142354 0.77 RAB9A (0.47) ALDH1A1POLBLMNASMN1; SMN2MEN1
SCHEMBL11734946 0.77 POLB (0.56) ALDH1A1HPSETDP1BRAFHDAC1
SCHEMBL17481741 0.76 ALDH1A1 (0.34) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL11738052 0.74 POLB (0.50) ALDH1A1HPSETDP1BRAFHDAC1
SCHEMBL13923523 0.73 BRAF (0.43) ALDH1A1HPSETDP1BRAFHDAC1
SCHEMBL15315479 0.71 HPSE (0.56) HPSETDP1BRAFHDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160111626-A1 FLEXIBLE CONDUCTIVE MATERIAL AND TRANSDUCER SUMITOMO RIKO COMPANY LIMITED (JP) 2016-04-21 — — US disclosed
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