SCHEMBL14703003

SCHEMBL14703003

Cc1c(C(=O)O)oc2cc(O)c(O)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 1.00
▸ MCL1 Q07820 7/20 0.58
▸ ALDH1A1 P00352 6/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ CELA1 Q9UNI1 1/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HPGD P15428 5/20 0.49
▸ AKR1B1 P15121 3/20 0.49
▸ GAA P10253 3/20 0.49
▸ AKR1B10 O60218 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ MPI P34949 1/20 0.49

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
SCHEMBL10743963 0.86 GPR35 (0.76) GPR35MCL1ALDH1A1KDM4EMEN1
SCHEMBL5599691 0.83 GPR35 (0.71) GPR35MCL1ALDH1A1KDM4EKMT2A
SCHEMBL5287590 0.79 MCL1 (0.69) GPR35MCL1ALDH1A1KDM4EMEN1
SCHEMBL10743403 0.78 GPR35 (0.64) GPR35ALDH1A1KDM4ECELA1MEN1
SCHEMBL11746390 0.77 KDM4E (0.63) GPR35MCL1ALDH1A1KDM4EMEN1
SCHEMBL11742716 0.77 GPR35 (0.63) GPR35MCL1ALDH1A1KDM4EMEN1
SCHEMBL11744026 0.77 GPR35 (0.63) GPR35MCL1ALDH1A1KDM4EMEN1
SCHEMBL4655120 0.76 MCL1 (0.71) GPR35MCL1ALDH1A1KDM4EMEN1
SCHEMBL1065472 0.76 MCL1 (0.71) GPR35MCL1ALDH1A1KDM4EMEN1
SCHEMBL27617272 0.75 HSD17B3 (0.61) GPR35MCL1ALDH1A1KDM4EMEN1

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-2013022740-A2 GPR35 LIGANDS AND THE USES THEREOF CORNING INCORPORATED (US) 2013-02-14 — — WO disclosed
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