SCHEMBL9615545

SCHEMBL9615545

C=C(C)C(=O)OCC(COc1ccccc1)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.38
PTGS2 P35354 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL9615565 0.93 ALDH1A1 (0.45) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL9615547 0.91 POLB (0.38) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL12789621 0.88 TSHR (0.42) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL9615555 0.86 ALDH1A1 (0.45) TDP1ALDH1A1CYP3A4TSHRPTGS2
SCHEMBL6880397 0.86 MTNR1A (0.46) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL12791621 0.85 ALDH1A1 (0.39) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL8923052 0.84 ALDH1A1 (0.46) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL10339546 0.84 ALDH1A1 (0.43) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL3268987 0.83 ALDH1A1 (0.43) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL15719112 0.83 MTNR1A (0.43) POLBAPEX1HTTTDP1MTNR1A

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
US-5096799-A Carboxy grou-containing binder, photoinitiator with lophine dimer, carboxy and ester group-containing compound to prevent discoloration, monomer; storage stable FUJI PHOTO FILM CO., LTD. (JP) 1992-03-17 US disclosed