SCHEMBL28810792

SCHEMBL28810792

CCc1ccccc1C=CC(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
AKR1B10 O60218 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
AKR1B1 P15121 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCAR2 Q8TDS4 2/20 0.41
PTGER3 P43115 3/20 0.40
PTGER2 P43116 3/20 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
SCHEMBL18802206 0.82 NFE2L2 (0.50) CA12CA1CA2CA7CA9
SCHEMBL11827282 0.81 MAPT (0.59) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL21954717 0.81 CA12 (0.53) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL28642609 0.81 CA12 (0.53) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL11827286 0.81 MAPT (0.59) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL19244478 0.81 LMNA (0.56) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL12814375 0.81 LMNA (0.56) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL19244259 0.80 AR (0.52) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL336239 0.79 MMP1 (0.52) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL334971 0.79 MAOB (0.60) CA12AKR1B10CA1CA2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114727934-A Wound debridement system 雷杰尼斯有限公司 2022-07-08 CN disclosed