SCHEMBL6496649

SCHEMBL6496649

Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 4/20 0.68
AKR1C1 Q04828 4/20 0.68
MCL1 Q07820 2/20 0.61
FTO Q9C0B1 1/20 0.56
XDH P47989 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TSHR P16473 1/20 0.55
CASP1 P29466 1/20 0.55
MYC P01106 1/20 0.51
NR4A1 P22736 1/20 0.51
PRKAB2 O43741 1/20 0.50
PRKAG1 P54619 1/20 0.50
PRKAA2 P54646 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAG3 Q9UGI9 1/20 0.50
PRKAG2 Q9UGJ0 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
PPARG P37231 1/20 0.47

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
SCHEMBL2770320 0.88 TSHR (0.68) AKR1C2AKR1C1XDHSMN1; SMN2TSHR
SCHEMBL3417670 0.85 TSHR (0.70) AKR1C2AKR1C1FTOXDHSMN1; SMN2
SCHEMBL120353 0.85 ACMSD (0.63) AKR1C2AKR1C1MCL1FTOXDH
SCHEMBL6508314 0.84 AKR1C2 (0.70) AKR1C2AKR1C1MCL1FTOXDH
SCHEMBL336771 0.84 SMN1; SMN2 (0.63) AKR1C2AKR1C1SMN1; SMN2TSHRCASP1
SCHEMBL18688873 0.83 XDH (0.60) AKR1C2AKR1C1XDHSMN1; SMN2TSHR
SCHEMBL30784621 0.83 XDH (0.60) AKR1C2AKR1C1XDHSMN1; SMN2TSHR
SCHEMBL16351974 0.82 MCL1 (0.72) AKR1C2AKR1C1MCL1FTOXDH
SCHEMBL2560422 0.82 XDH (0.56) AKR1C2AKR1C1XDHSMN1; SMN2TSHR
SCHEMBL4527705 0.81 XDH (0.55) AKR1C2AKR1C1XDHSMN1; SMN2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed