SCHEMBL29065774

SCHEMBL29065774

CCCC[C](CC)CCCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.35
CES2 O00748 1/20 0.35
LMNA P02545 1/20 0.35
PTPN1 P18031 1/20 0.34
TP53 P04637 2/20 0.32
OPRM1 P35372 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NFKB1 P19838 1/20 0.31
CA1 P00915 3/20 0.31
SPHK1 Q9NYA1 1/20 0.31
PLA2G10 O15496 1/20 0.31
KDM1A O60341 1/20 0.31
BLM P54132 1/20 0.30

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
SCHEMBL6626453 0.91 LMNA (0.35) LMNAPTPN1CA1KDM1ABLM
SCHEMBL6295487 0.87 LMNA (0.39) LMNAPTPN1CA1KDM1ABLM
SCHEMBL16244845 0.86 FFAR4 (0.42) CES1CES2LMNAOPRM1SPHK1
SCHEMBL8582939 0.82 CES1 (0.47) CES1CES2LMNATP53ALDH1A1
SCHEMBL16594597 0.80 CA1 (0.39) CES1CES2LMNATP53OPRM1
Ammonia Solution, Strong SCHEMBL28852850 0.79 CES1 (0.45) CES1CES2LMNATP53ALDH1A1
SCHEMBL2998926 0.76 CES1 (0.43) CES1CES2LMNATP53ALDH1A1
SCHEMBL7698922 0.76 CES2 (0.48) CES1CES2PTPN1ALDH1A1
SCHEMBL10950789 0.76 FFAR4 (0.45) CES1CES2LMNAOPRM1ALDH1A1
SCHEMBL9451147 0.76 FFAR4 (0.45) CES1CES2LMNAOPRM1ALDH1A1

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-116685409-A Method for flotation of silicate-containing iron ore 巴斯夫欧洲公司 2023-09-01 CN disclosed