SCHEMBL28816539

SCHEMBL28816539

CCCCCC(C)C(C)CO.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
OPRM1 P35372 1/20 0.44
CYP2D6 P10635 2/20 0.43
SPHK1 Q9NYA1 2/20 0.43
TP53 P04637 2/20 0.43
GMNN O75496 1/20 0.43
POLB P06746 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CETP P11597 1/20 0.43
HTT P42858 1/20 0.43
UBE2N P61088 1/20 0.43
CA1 P00915 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL1022237 0.97 LMNA (0.54) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL30729227 0.95 LMNA (0.52) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL3370075 0.95 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL19154283 0.95 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL6157389 0.95 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL1019405 0.95 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL1660059 0.95 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL3364419 0.95 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL6159762 0.95 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL14878243 0.95 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113956411-B Regulator of conjugated diene and application thereof 中国石油天然气股份有限公司 2024-03-01 CN claimed
CN-113956411-B Regulator of conjugated diene and application thereof 中国石油天然气股份有限公司 2024-03-01 CN disclosed
CN-113956411-A Regulator of conjugated diene and application thereof 中国石油天然气股份有限公司 2022-01-21 CN disclosed