SCHEMBL29131402

SCHEMBL29131402

CCC1C(=O)c2ccccc2C=C1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CDC25A P30304 4/20 0.36
CDC25B P30305 4/20 0.36
MAPT P10636 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP19A1 P11511 1/20 0.33
NOS2 P35228 1/20 0.33
GAA P10253 2/20 0.33
TNKS2 Q9H2K2 1/20 0.33
MAPK1 P28482 2/20 0.33
S100A4 P26447 2/20 0.33
TSHR P16473 1/20 0.33
MAP2K7 O14733 1/20 0.33
PLIN1 O60240 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
SCHEMBL28085412 0.82 PTPN1 (0.40)
SCHEMBL28240950 0.82 PTPN1 (0.40)
SCHEMBL27947998 0.81 CDC25B (0.40) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL8365427 0.76 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4228063 0.76 MEN1 (0.41) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6238627 0.73 HTR2A (0.41) ALDH1A1KDM4EMEN1KMT2ANOS2
SCHEMBL28240062 0.71 KMT2A (0.38) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL28892077 0.68 CDC25A (0.36) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL30006748 0.67 PTPN1 (0.44)
SCHEMBL6903762 0.67 CDC25B (0.46) ALDH1A1HPGDKDM4EMEN1KMT2A

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-117015593-A Use of enzymes for improving fragrance deposition 诺维信公司 2023-11-07 CN disclosed