SCHEMBL27716681

SCHEMBL27716681

Cc1ccccc1Nc1cc(Oc2ccccc2)ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 10/20 0.58
▸ AKR1C2 P52895 10/20 0.58
▸ CYP2C9 P11712 3/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ AKR1B10 O60218 2/20 0.51
▸ AKR1B1 P15121 2/20 0.51
▸ AKR1C1 Q04828 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ TRPA1 O75762 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ DHFR P00374 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MPO P05164 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HIF1A Q16665 1/20 0.51

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
SCHEMBL4225648 0.87 AKR1C3 (0.64) AKR1C3AKR1C2CYP2C9CYP2C19AKR1B10
SCHEMBL4225339 0.82 AKR1C3 (0.73) AKR1C3AKR1C2CYP2C9CYP2C19FABP4
SCHEMBL27716614 0.82 AKR1C3 (0.73) AKR1C3AKR1C2CYP2C9CYP2C19CYP1A2
SCHEMBL2268019 0.81 MAPK1 (0.57) CYP2C9CYP2C19MEN1LMNAKMT2A
SCHEMBL4186922 0.80 AKR1C3 (0.60) AKR1C3AKR1C2CYP2C9CYP2C19AKR1B10
SCHEMBL27696882 0.80 AKR1C3 (0.77) AKR1C3AKR1C2CYP2C9CYP2C19CYP1A2
SCHEMBL3237547 0.80 AKR1C3 (0.66) AKR1C3AKR1C2CYP2C9CYP2C19AKR1B10
SCHEMBL4220700 0.79 AKR1C3 (0.74) AKR1C3AKR1C2MEN1KMT2APOLB
SCHEMBL10397079 0.79 POLB (0.61) AKR1C3CYP2C9CYP2C19CYP1A2TDP1
SCHEMBL27796772 0.79 AKR1C3 (0.58) AKR1C3AKR1C2CYP2C9CYP2C19AKR1B10

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
CN-101094829-A Novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2007-12-26 — — CN disclosed
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