SCHEMBL11738052

SCHEMBL11738052

CNC(=O)c1ccc(Oc2ccc(Cc3ccc(Oc4ccc(C(=O)O)c(C(=O)O)c4)cc3)cc2)cc1C(=O)NC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ TDP1 Q9NUW8 4/20 0.49
▸ HPSE Q9Y251 1/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ BRAF P15056 5/20 0.45
▸ HDAC1 Q13547 5/20 0.45
▸ HDAC3 O15379 2/20 0.45
▸ HDAC4 P56524 2/20 0.45
▸ HDAC7 Q8WUI4 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ HDAC10 Q969S8 2/20 0.45
▸ HDAC11 Q96DB2 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ HDAC9 Q9UKV0 2/20 0.45
▸ HDAC5 Q9UQL6 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
SCHEMBL11734946 0.93 POLB (0.56) POLBTDP1HPSELMNABRAF
SCHEMBL15315484 0.91 POLB (0.54) POLBTDP1HPSELMNABRAF
SCHEMBL1099442 0.88 POLB (0.61) POLBTDP1HPSESRD5A2LMNA
SCHEMBL29394890 0.88 POLB (0.61) POLBTDP1HPSESRD5A2LMNA
SCHEMBL11738616 0.84 HPSE (0.48) POLBTDP1HPSELMNABRAF
SCHEMBL15294833 0.81 MAPK1 (0.63) POLBTDP1HPSELMNABRAF
SCHEMBL5020549 0.79 MAPK1 (0.61) POLBTDP1HPSELMNABRAF
SCHEMBL15294834 0.79 MAPK1 (0.61) POLBTDP1HPSELMNABRAF
SCHEMBL13345892 0.79 MAPK1 (0.55) POLBTDP1LMNABRAFHDAC1
SCHEMBL4738181 0.79 POLB (0.61) POLBTDP1HPSESRD5A2LMNA

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-4005134-A POLYETHERS, POLYIMIDES GENERAL ELECTRIC COMPANY (US) 1977-01-25 — — US disclosed
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