SCHEMBL29140992

SCHEMBL29140992

CCCCCCOC(=O)C(O)(CCCCC)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 3/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
SCN5A Q14524 3/20 0.48
SCN9A Q15858 3/20 0.48
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 2/20 0.47
PPARG P37231 3/20 0.46
SCN1A P35498 3/20 0.46
SCN2A Q99250 3/20 0.46
SCN3A Q9NY46 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL27554525 1.00 TSHR (0.53) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL27528841 0.94 SCN5A (0.48) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL29140989 0.91 MEN1 (0.46) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL27533751 0.91 MEN1 (0.46) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL29140966 0.88 MEN1 (0.46) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL28551396 0.85 SCN5A (0.50) SCN5ASCN9ASIGMAR1KMT2AGAA
SCHEMBL5709848 0.85 MEN1 (0.61) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL5709937 0.85 MEN1 (0.61) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL27815598 0.85 MEN1 (0.61) TSHRLMNAALDH1A1CYP3A4TP53
SCHEMBL27815600 0.85 MEN1 (0.61) TSHRLMNAALDH1A1CYP3A4TP53

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-117384696-A Methanol fuel engine lubricating oil composition 中国石油化工股份有限公司 2024-01-12 CN disclosed