SCHEMBL5300831

SCHEMBL5300831

COc1ccccc1-c1ccc(CCC(=O)Nc2cscc2C(=O)O)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.48
CYP2C8 P10632 3/20 0.48
CYP2C9 P11712 3/20 0.48
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
LTB4R Q15722 1/20 0.45
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM6B O15054 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
BRS3 P32247 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 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
SCHEMBL5306769 0.87 HCAR2 (0.54) HCAR2CYP2C8CYP2C9LTB4RHPGD
SCHEMBL5293614 0.84 RAB9A (0.54) HCAR2CYP2C8CYP2C9PKMHTT
SCHEMBL5303734 0.83 MAPK8 (0.44) HCAR2CYP2C8CYP2C9PKMHTT
SCHEMBL5299672 0.80 HCAR2 (0.53) HCAR2CYP2C8CYP2C9LTB4RHPGD
SCHEMBL5329176 0.79 DHODH (0.53) HCAR2CYP2C8CYP2C9LTB4RALDH1A1
SCHEMBL5301489 0.79 HCAR2 (0.51) HCAR2PKMHTTKMT2AHPGD
SCHEMBL5307245 0.79 KDM4E (0.52) HCAR2LTB4RKMT2AHPGDSMN1; SMN2
SCHEMBL5296276 0.78 FFAR1 (0.55) HPGDKDM4ECYP11B1CYP11B2ALDH1A1
SCHEMBL5356977 0.78 ALDH1A1 (0.48) HCAR2LTB4RKMT2AHPGDSMN1; SMN2
SCHEMBL3554946 0.75 KDM4E (0.47) HCAR2KMT2ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO claimed
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed