SCHEMBL27909640

SCHEMBL27909640

Cc1cc(C(=O)O)c(-c2cccc(Cl)c2Cl)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
TTR P02766 2/20 0.53
FABP3 P05413 3/20 0.52
FABP4 P15090 3/20 0.52
NOTUM Q6P988 5/20 0.51
MYC P01106 1/20 0.44
POLB P06746 2/20 0.43
FABP5 Q01469 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CNR2 P34972 1/20 0.42
DHODH Q02127 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PABPC1 P11940 1/20 0.41
RECQL P46063 1/20 0.41
EIF4H Q15056 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL27516459 0.87 TTR (0.59) TSHRTTRFABP3FABP4NOTUM
SCHEMBL28016199 0.75 ALDH1A1 (0.55) TSHRTTRNOTUMMYCALDH1A1
SCHEMBL27532000 0.74 TTR (0.56) TTRMYCPOLBALDH1A1KDM4E
SCHEMBL28015624 0.73 TTR (0.59) TTRNOTUMMYCDHODH
SCHEMBL27796585 0.73 TTR (0.59) TSHRTTRNOTUMMYCPOLB
SCHEMBL28759892 0.73 TTR (0.59) TSHRTTRNOTUMMYCPOLB
SCHEMBL27458636 0.73 TTR (0.59) TTRFABP3FABP4NOTUMALDH1A1
SCHEMBL8439147 0.73 FABP3 (0.48) TSHRFABP3FABP4ALDH1A1DHODH
SCHEMBL27517441 0.73 NPC1 (0.54) TSHRTTRFABP3FABP4NOTUM
SCHEMBL27922028 0.73 KEAP1 (0.51) TSHRALDH1A1KDM4ELMNAKMT2A

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
CN-103189363-B Biaryl linked aryl triazolones and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-29 CN disclosed
CN-103189363-A Biaryl linked aryl triazolones and uses thereof BAYER IP GMBH 2013-07-03 CN disclosed