SCHEMBL10693468

SCHEMBL10693468

CCC(=O)Sc1ccc2c(c1)CCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.47
WNT3A P56704 7/20 0.47
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
ATM Q13315 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL10691617 0.89 CTNNB1 (0.48) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL10688087 0.88 CTNNB1 (0.47) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL7084033 0.87 CTNNB1 (0.46) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL7762954 0.84 CTNNB1 (0.47) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL6975547 0.83 CTNNB1 (0.45) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL8139356 0.82 CTNNB1 (0.51) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL11519067 0.77 DYRK1A (0.44) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL10692370 0.76 CYP4F2 (0.39) ATMMTNR1AMTNR1BSLC6A2SLC6A4
SCHEMBL27629579 0.75 CTNNB1 (0.68) CTNNB1WNT3AATMTAS1R3TAS1R1
SCHEMBL5198324 0.72 DYRK1A (0.43) CTNNB1WNT3ACLK1DYRK1ADYRK1B

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-4791104-A HYPOTENSIVE, ANTILIPEMIC, ANTIHROMBOTIC, ANTIHYPOXIC AGENTS MAGGIONI-WINTHROP S.P.A. (IT) 1988-12-13 US disclosed