SCHEMBL31315044

SCHEMBL31315044

CC(C)CCCCCCCCCCCCCCCC1CCCC(O)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.33
LSS P48449 2/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
CYP1A2 P05177 1/20 0.31
LMNA P02545 2/20 0.30
NPC1L1 Q9UHC9 1/20 0.30
USP2 O75604 1/20 0.30
GBA1 P04062 1/20 0.30
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL730135 0.87 SIGMAR1 (0.38) SIGMAR1CYP1A2LMNA
SCHEMBL1153848 0.85 CYP2C9 (0.33) CYP1A2LMNA
SCHEMBL1153056 0.85 CYP2C9 (0.33) CYP1A2LMNA
SCHEMBL1153058 0.85 CYP2C9 (0.33) CYP1A2LMNA
SCHEMBL1153850 0.85 CYP2C9 (0.33) CYP1A2LMNA
SCHEMBL1153057 0.85 CYP2C9 (0.33) CYP1A2LMNA
SCHEMBL5227653 0.80 CYP1A2 (0.47) LSSCYP1A2
SCHEMBL13095873 0.80 CYP1A2 (0.47) LSSCYP1A2
SCHEMBL16974802 0.80 CYP1A2 (0.47) LSSCYP1A2
SCHEMBL22965405 0.79 SIGMAR1 (0.50) SIGMAR1CYP1A2LMNA

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-115997003-B Irritation-reducing surfactants 联合利华知识产权控股有限公司 2024-12-27 CN disclosed