SCHEMBL3913432

SCHEMBL3913432

CCOc1cc(C=O)c(OCC)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
LMNA P02545 2/20 0.56
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
TOP2A P11388 1/20 0.43
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ERN1 O75460 2/20 0.42
POLB P06746 2/20 0.42
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABL1 P00519 1/20 0.39

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
SCHEMBL6699503 0.89 ALDH1A1 (0.57) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL10969853 0.88 LMNA (0.68) ALDH1A1LMNAKDM4ECYP3A4GAA
SCHEMBL3578196 0.87 LMNA (0.62) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL23094682 0.84 LMNA (0.75) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL3372169 0.84 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL3431542 0.84 LMNA (0.69) ALDH1A1LMNAKDM4ECYP3A4GAA
SCHEMBL5882543 0.82 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL9714219 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2ACYP3A4
SCHEMBL18901650 0.81 ALDH1A1 (0.67) ALDH1A1LMNAKDM4ECYP3A4CYP1A2
SCHEMBL22244892 0.81 LMNA (0.65) ALDH1A1LMNAKDM4ECYP3A4CYP1A2

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
EP-1796627-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2009-03-04 EP claimed
CN-119320397-A SSTR5-TGR5 double-effect compound, and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-01-17 CN disclosed