SCHEMBL8689115

SCHEMBL8689115

O=C(CNc1ccc(OC(F)(F)F)cc1)Nc1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
DHODH Q02127 1/20 0.49
HCAR2 Q8TDS4 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
EPHX2 P34913 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
IGF2BP2 Q9Y6M1 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL8688769 0.84 TRPA1 (0.55) POLBHCAR2KMT2AMEN1ALDH1A1
SCHEMBL8688582 0.84 HCAR2 (0.68) POLBHCAR2KMT2AMEN1KDM4E
SCHEMBL2627998 0.83 KMT2A (0.59) POLBHCAR2KMT2AMEN1HPGD
SCHEMBL8689529 0.82 HCAR2 (0.59) POLBHCAR2CYP1A2CYP2C19KMT2A
SCHEMBL5696412 0.80 DHODH (0.57) POLBDHODHHCAR2KMT2AMEN1
SCHEMBL8691671 0.79 HDAC1 (0.55) POLBDHODHKMT2AMEN1HPGD
SCHEMBL8693880 0.79 RAB9A (0.61) POLBHCAR2KMT2AMEN1HPGD
SCHEMBL8478866 0.79 HDAC1 (0.55) POLBDHODHCYP1A2CYP2C19KMT2A
SCHEMBL4916093 0.76 KDM4E (0.53) POLBDHODHHCAR2KMT2AMEN1
SCHEMBL8691529 0.76 ALDH1A1 (0.60) CYP1A2CYP2C19KMT2AMEN1HPGD

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-5741926-A ANTIDIABETIC AGENT SHAMAN PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed
WO-1997030019-A1 ANILINE DERIVATIVES HAVING ANTIHYPERGLYCEMIC ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1997-08-21 WO disclosed