SCHEMBL29409199

SCHEMBL29409199

CCCCC(C)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
TSHR P16473 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
BLM P54132 2/20 0.49
ATM Q13315 2/20 0.49
HIF1A Q16665 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GMNN O75496 1/20 0.49
GABBR2 O75899 1/20 0.49
TP53 P04637 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL11307393 0.85 ALDH1A1 (0.59) ALDH1A1TSHRKMT2AMAPK1LMNA
SCHEMBL9119671 0.81 ALDH1A1 (0.64) ALDH1A1TSHRKMT2AMAPK1LMNA
SCHEMBL223702 0.81 NR5A2 (0.46) ALDH1A1TSHRKMT2AMAPK1LMNA
SCHEMBL28482986 0.77 NR5A2 (0.43) ALDH1A1TSHRKMT2AMAPK1LMNA
SCHEMBL11313082 0.77 ALDH1A1 (0.58) ALDH1A1TSHRKMT2AMAPK1LMNA
SCHEMBL11266255 0.77 ALDH1A1 (0.58) ALDH1A1TSHRKMT2AMAPK1LMNA
SCHEMBL11329650 0.75 ALDH1A1 (0.45) ALDH1A1TSHRKMT2AMAPK1LMNA
SCHEMBL3085940 0.75 ALDH1A1 (0.37) ALDH1A1TSHRKMT2AMAPK1LMNA
SCHEMBL2139591 0.75 ALDH1A1 (0.49) ALDH1A1TSHRKMT2AMAPK1LMNA
SCHEMBL462662 0.75 ALDH1A1 (0.49) ALDH1A1TSHRKMT2AMAPK1LMNA

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-114222781-A Electret and filter using same 东洋纺株式会社 2022-03-22 CN disclosed