SCHEMBL2420628

SCHEMBL2420628

C=C(C)C(=O)CC(O)COc1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
POLB P06746 4/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
GAA P10253 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL7514064 0.89 POLB (0.53) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL11213755 0.88 MAPT (0.51) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL11040659 0.86 LMNA (0.50) POLBMAPTLMNANPSR1KMT2A
SCHEMBL244204 0.84 HTT (0.55) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL4407029 0.84 MAPT (0.48) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL8356481 0.84 MAPT (0.46) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL11234897 0.83 KMT2A (0.51) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL11139586 0.83 FFAR1 (0.47) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL28544663 0.81 POLB (0.54) ALDH1A1POLBMAPTLMNANPSR1
SCHEMBL12921171 0.80 HTT (0.50) ALDH1A1POLBMAPTLMNANPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3834017-B1 HIGH WATER CONTENT OPHTHALMIC DEVICES BAUSCH & LOMB (US) 2023-05-10 EP claimed
EP-2222736-B1 HIGH WATER CONTENT SILICONE HYDROGELS BAUSCH & LOMB (US) 2011-09-21 EP claimed