SCHEMBL8960588

SCHEMBL8960588

CCCOC(=O)Cc1ccccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.49
PTPN11 Q06124 1/20 0.48
TSHR P16473 3/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
FOLH1 Q04609 1/20 0.45
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
PPARG P37231 4/20 0.44
PPARA Q07869 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CLCN2 P51788 1/20 0.42

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
SCHEMBL8888548 0.87 ALDH1A1 (0.69) ALDH1A1LMNATSHRTP53CYP3A4
SCHEMBL1567252 0.87 TSHR (0.52) ALDH1A1LMNATSHRFOLH1KMT2A
SCHEMBL9863045 0.86 ALDH1A1 (0.55) ALDH1A1LMNATSHRTP53CYP3A4
SCHEMBL8177839 0.86 ALDH1A1 (0.53) ALDH1A1LMNATSHRTP53CYP3A4
SCHEMBL5904494 0.84 FOLH1 (0.45) ALDH1A1LMNATSHRTP53FOLH1
SCHEMBL28108147 0.83 KMT2A (0.47) ALDH1A1LMNAPTPN11TSHRTP53
SCHEMBL8899942 0.83 ALDH1A1 (0.50) ALDH1A1LMNATSHRTP53CYP3A4
SCHEMBL28362383 0.81 PKM (0.53) ALDH1A1LMNATSHRKDM4ERECQL
SCHEMBL5904400 0.81 FOLH1 (0.42) ALDH1A1LMNAPTPN11TSHRTP53
SCHEMBL2400235 0.80 CTBP2 (0.50) ALDH1A1LMNAMAPK1KDM4EKMT2A

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
EP-0694605-A2 Cyclic diesters and their use as perfuming ingredients FIRMENICH SA (CH) 1996-01-31 EP disclosed