SCHEMBL4753499

SCHEMBL4753499

CC(C)C(Sc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.64
SIRT5 Q9NXA8 3/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PRNP P04156 1/20 0.45
MAPK10 P53779 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
BCAT2 O15382 1/20 0.44
LMNA P02545 1/20 0.44
PLA2G1B P04054 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.44
MAPK1 P28482 1/20 0.44
CRHR2 Q13324 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
AKR1C3 P42330 4/20 0.44
AKR1C2 P52895 4/20 0.44
PPARG P37231 2/20 0.41

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
SCHEMBL4753524 0.85 EPHX1 (0.62) EPHX1SIRT5ALDH1A1KDM4EPRNP
SCHEMBL6930715 0.83 EPHX1 (0.59) EPHX1ANPEP
SCHEMBL6959322 0.79 EPHX1 (0.57) EPHX1SIRT5MAPTAKR1C3AKR1C2
SCHEMBL11024562 0.77 EPHX1 (0.56) EPHX1SIRT5MAPTAKR1C3AKR1C2
SCHEMBL7243544 0.75 EPHX1 (0.57) EPHX1ALDH1A1LMNAUGT2B7
SCHEMBL8557449 0.75 SIRT5 (0.51) EPHX1SIRT5ANPEPKIF11
SCHEMBL8557443 0.75 SIRT5 (0.51) EPHX1SIRT5ANPEPKIF11
SCHEMBL726401 0.75 LDHA (0.46) ALDH1A1LMNAAKR1C3AKR1C2PPARG
SCHEMBL4640609 0.74 EPHX1 (0.61) EPHX1UGT2B7ANPEP
SCHEMBL32662877 0.74 EPHX1 (0.61) EPHX1UGT2B7ANPEP

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
WO-2008144822-A1 HOLOGRAPHIC RECORDING MEDIUM ADVANCED POLYMERIK PTY LTD (AU) 2008-12-04 WO disclosed
WO-2008144822-A1 HOLOGRAPHIC RECORDING MEDIUM ADVANCED POLYMERIK PTY LTD (AU) 2008-12-04 WO disclosed