SCHEMBL27745360

SCHEMBL27745360

Cc1cc(C[SH](=O)=O)ccc1C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.56
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 2/20 0.42
AKR1C3 P42330 2/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CNR2 P34972 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL11231215 0.83 SRD5A2 (0.59) SRD5A2KDM4EALDH1A1AKR1C3CYP2C8
SCHEMBL28377134 0.80 SRD5A2 (0.57) SRD5A2KDM4EALDH1A1AKR1C3CYP2C8
SCHEMBL11220023 0.78 SRD5A2 (0.54) SRD5A2ALDH1A1HPGDHSD17B10
SCHEMBL27716918 0.77 ALDH1A1 (0.50) KDM4EALDH1A1CYP2C9MEN1KMT2A
SCHEMBL12337417 0.77 ALDH1A1 (0.61) SRD5A2KDM4EALDH1A1AKR1C3CYP2C8
SCHEMBL418568 0.75 SRD5A2 (0.52) SRD5A2KDM4EALDH1A1AKR1C3CYP2C8
SCHEMBL50128 0.75 AKR1C3 (0.59) SRD5A2KDM4EALDH1A1AKR1C3CYP2C8
SCHEMBL29380078 0.75 AKR1C3 (0.59) SRD5A2KDM4EALDH1A1AKR1C3CYP2C8
SCHEMBL2518517 0.75 KDM4E (0.70) SRD5A2KDM4EALDH1A1AKR1C3CYP2C8
SCHEMBL4400929 0.74 AKR1C3 (0.57) SRD5A2KDM4EALDH1A1AKR1C3CYP2C8

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-102079723-A Benzoylpyrazole compounds and herbicides containing them ISHIHARA SANGYO KAISHA 2011-06-01 CN disclosed
CN-101331119-A Benzoylpyrazole compounds and herbicides containing them ISHIHARA SANGYO KAISHA (JP) 2008-12-24 CN disclosed