SCHEMBL30098538

SCHEMBL30098538

C=CC(=O)C(C(N)=O)=C(C)C.[Na]

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
FGFR4 P22455 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 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
SCHEMBL7203147 0.78 ALDH1A1 (0.41) ALDH1A1TSHRFGFR4TDP1LMNA
SCHEMBL28940090 0.73 ALDH1A1 (0.41) ALDH1A1TSHRFGFR4LMNA
SCHEMBL25243223 0.73 ALDH1A1 (0.41) ALDH1A1TSHRFGFR4LMNA
SCHEMBL12588748 0.73 LMNA (0.50) ALDH1A1TSHRTDP1LMNAALOX15
SCHEMBL14192067 0.73 LMNA (0.50) ALDH1A1TSHRTDP1LMNAALOX15
SCHEMBL28025627 0.71
SCHEMBL1208262 0.70 ALDH1A1 (0.43) ALDH1A1TSHRFGFR4LMNA
SCHEMBL2709588 0.70
SCHEMBL22996509 0.67
SCHEMBL9033319 0.66 LDHA (0.47) TDP1LMNAALOX15BLMPMP22

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-115400036-A Cleaning material composition 株式会社资生堂 2022-11-29 CN disclosed