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SCHEMBL5168702

SCHEMBL5168702

NC(Cc1ccccc1)c1nc(C(=O)NC(Cc2ccccc2)c2nc(C(=O)NC(Cc3ccccc3)c3nc(C(=O)NC(Cc4ccccc4)c4nc(C(=O)O)co4)co3)co2)co1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CCR3 P51677 1/20 0.42
▸ C3AR1 Q16581 5/20 0.40
▸ PTPN1 P18031 1/20 0.38
▸ F2R P25116 3/20 0.38
▸ CES1 P23141 1/20 0.37
▸ MME P08473 2/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ TACR3 P29371 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL5014190 1.00 HDAC1 (0.43) HDAC1HDAC8HDAC6CCR3C3AR1
SCHEMBL5014051 0.76 ALDH1A1 (0.58) C3AR1
SCHEMBL7732335 0.75 CES1 (0.49) HDAC1HDAC8HDAC6PTPN1CES1
SCHEMBL18687973 0.72 TACR1 (0.42) HDAC1CCR3TACR1
SCHEMBL21129189 0.70 ALDH1A1 (0.52) C3AR1
SCHEMBL801034 0.69 HDAC1 (0.42) HDAC1HDAC8HDAC6C3AR1SMYD3
SCHEMBL5014182 0.68 ALDH1A1 (0.56) CCR3C3AR1
SCHEMBL6466167 0.68 CES1 (0.46) HDAC1HDAC8HDAC6PTPN1CES1
SCHEMBL12522548 0.67 CCR3 (0.40) HDAC1HDAC8HDAC6CCR3
Hydrochloric Acid SCHEMBL8169354 0.66 ALPI (0.42) PTPN1

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
WO-2008009942-A1 HETEROAROMATIC-BASED PEPTIDE MACROCYCLES AS G-QUADRUPLEX LIGANDS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-01-24 — — WO disclosed