SCHEMBL9355249

SCHEMBL9355249

CCC/C(C(=O)O)=C(\Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
AKR1B1 P15121 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CTBP2 P56545 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
CNR2 P34972 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 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
SCHEMBL9355640 1.00 CES2 (0.48) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL384895 0.85 CES1 (0.64) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL3881031 0.85 CES1 (0.64) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL384894 0.85 CES1 (0.64) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL9856517 0.84 CES1 (0.52) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL304073 0.83 CES1 (0.61) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL304071 0.83 CES1 (0.61) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL10193598 0.82 KEAP1 (0.57) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL305659 0.82 CES1 (0.50) CES2CES1AKR1B1MEN1KMT2A
SCHEMBL305657 0.82 CES1 (0.50) CES2CES1AKR1B1MEN1KMT2A

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-0242618-B1 Transparent optical article and process for preparing same NIPPON OILS & FATS CO LTD (JP) 1994-11-02 EP claimed