SCHEMBL6532504

SCHEMBL6532504

C=COCC1(C(c2cc(C(=O)O)ccc2C(=O)O)C2(COC=C)CCCCC2)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
ACE2 Q9BYF1 2/20 0.33
RARA P10276 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM1A O60341 2/20 0.32
RXRA P19793 3/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HNF4A P41235 1/20 0.31

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
SCHEMBL7109672 0.75 ALDH1A1 (0.35) RARBRARGRARARXRARXRB
SCHEMBL29242763 0.70 ACE2 (0.40) ACE2RXRAKDM4EHNF4A
SCHEMBL6049060 0.67 NR1H4 (0.38) ACE2RXRAKDM4E
SCHEMBL11701349 0.67 KDM4E (0.49) ACE2KDM4E
SCHEMBL5799937 0.67 ALDH1A1 (0.37) RARBRARGRARARXRARXRB
SCHEMBL788898 0.65 ACE2 (0.44) ACE2KDM4E
SCHEMBL4274180 0.64 KDM4E (0.43) ACE2KDM4E
SCHEMBL8054469 0.64 ACE2 (0.50) ACE2RXRAKDM4E
SCHEMBL10531665 0.64 KDM1A (0.41) RARBRARGACE2RARAKDM1A
SCHEMBL3651606 0.64 HTT (0.43) KDM4E

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-1373340-B1 SHAPE MEMORY POLYMER OR ALLOY OPHTHALMIC LENS MOLD AND METHODS OF FORMING OPHTHALMIC PRODUCTS JOHNSON & JOHNSON VISION CARE (US) 2005-10-19 EP claimed