SCHEMBL31597656

SCHEMBL31597656

C=Cc1ccc2c(c1)CC2=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAOA P21397 6/20 0.37
MAOB P27338 6/20 0.37
METAP1 P53582 4/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
CES2 O00748 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL21052429 0.89 BCHE (0.47) SRD5A1ALDH1A1MAOAMAOBMETAP1
SCHEMBL3297666 0.83 ALDH1A1 (0.46) SRD5A1ALDH1A1MAOAMAOBKDM4E
SCHEMBL1815040 0.82 CASP1 (0.53) SRD5A1MAOAMAOBCASP1CASP7
SCHEMBL21052522 0.82 ALDH1A1 (0.40) SRD5A1ALDH1A1MAOAMAOBTP53
SCHEMBL21052584 0.81 BCHE (0.47) SRD5A1ALDH1A1MAOAMAOBMETAP1
SCHEMBL1805993 0.79 MAOA (0.56) SRD5A1MAOAMAOBCASP1CASP7
SCHEMBL21052427 0.78 CYP1A2 (0.44) SRD5A1ALDH1A1MAOAMAOBCES2
SCHEMBL30786494 0.76
SCHEMBL28417181 0.76 ALDH1A1 (0.34) SRD5A1ALDH1A1MAOAMAOBMAPT
SCHEMBL1131033 0.74 MAPT (0.53) ALDH1A1MAOAKDM4EHPGDMAPT

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-120059387-A Multi-layer composite antibacterial medical packaging bag and preparation method thereof 江苏帕科医疗股份有限公司 2025-05-30 CN claimed
CN-120059387-A Multi-layer composite antibacterial medical packaging bag and preparation method thereof 江苏帕科医疗股份有限公司 2025-05-30 CN disclosed