SCHEMBL9752549

SCHEMBL9752549

C=CCCCCOC(=O)OOOC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
LPAR3 Q9UBY5 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37
CYP3A4 P08684 3/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 3/20 0.33
USP2 O75604 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
ABCC4 O15439 1/20 0.33
HPGD P15428 2/20 0.33
PLA2G2C Q5R387 1/20 0.30
ATM Q13315 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
SCHEMBL9752490 0.95 ALDH1A1 (0.34) ALDH1A1LMNALPAR3LPAR2CYP3A4
SCHEMBL9752493 0.90 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL20211357 0.85 NAAA (0.35) ALDH1A1CYP3A4TSHR
SCHEMBL1630028 0.80 NAAA (0.44) ALDH1A1LMNACYP3A4TSHRATM
SCHEMBL11710524 0.79 NAAA (0.47) ALDH1A1LMNATSHR
SCHEMBL1421042 0.79 NAAA (0.47) ALDH1A1LMNATSHR
SCHEMBL8416800 0.79 NAAA (0.47) ALDH1A1LMNATSHR
SCHEMBL28506895 0.79 NAAA (0.47) ALDH1A1LMNATSHR
SCHEMBL492248 0.78 TSHR (0.36) ALDH1A1CYP3A4TSHRMAPTSMN1; SMN2
SCHEMBL28856839 0.78 ALDH1A1 (0.45) ALDH1A1LMNATSHRSMN1; SMN2HPGD

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
WO-1991000300-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES AKZO N.V. (NL) 1991-01-10 WO disclosed