SCHEMBL9806532

SCHEMBL9806532

CC(=O)N(O)Cc1cccc(Nc2ccccc2C(=O)O)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.59
AKR1C2 P52895 3/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
PTGS2 P35354 2/20 0.59
KMT2A Q03164 2/20 0.59
HIF1A Q16665 2/20 0.59
AKR1B10 O60218 2/20 0.59
AKR1B1 P15121 2/20 0.59
AKR1C1 Q04828 2/20 0.59
TRPA1 O75762 1/20 0.59
ABCB11 O95342 1/20 0.59
DHFR P00374 1/20 0.59
MPO P05164 1/20 0.59
CHRM1 P11229 1/20 0.59
PTGS1 P23219 1/20 0.59
NAPRT Q6XQN6 1/20 0.59

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
SCHEMBL9806489 0.89 KMT2A (0.56) AKR1C3AKR1C2MEN1LMNACYP1A2
SCHEMBL9806509 0.87 MAPT (0.49) AKR1C3AKR1C2MEN1LMNACYP1A2
SCHEMBL9806514 0.87 AKR1C3 (0.57) AKR1C3AKR1C2MEN1LMNACYP1A2
SCHEMBL9806483 0.87 MEN1 (0.53) AKR1C3AKR1C2MEN1LMNACYP1A2
SCHEMBL9806504 0.86 CLCN2 (0.53) AKR1C3AKR1C2MEN1LMNACYP1A2
SCHEMBL18873558 0.81 AKR1C3 (0.66) AKR1C3AKR1C2MEN1LMNACYP1A2
SCHEMBL7346692 0.80 PTGS2 (0.52) AKR1C3AKR1C2MEN1LMNACYP1A2
SCHEMBL9806495 0.77 MAPT (0.46) AKR1C3AKR1C2MEN1LMNACYP1A2
SCHEMBL9806488 0.76 CDC25B (0.49) AKR1C3AKR1C2MEN1LMNACYP1A2
Mefenamic Acid SCHEMBL29355128 0.75 PTGS2 (1.00) AKR1C3AKR1C2MEN1LMNACYP1A2

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-5017604-A Antiinflammatory WARNER-LAMBERT COMPANY (US) 1991-05-21 US claimed