SCHEMBL10691617

SCHEMBL10691617

CCCC(=O)Sc1ccc2c(c1)CCCO2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.48
WNT3A P56704 8/20 0.48
HPGD P15428 2/20 0.42
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
NOTUM Q6P988 1/20 0.36
CACNA1H O95180 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
PRKCI P41743 1/20 0.35

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
SCHEMBL10688087 0.94 CTNNB1 (0.47) CTNNB1WNT3AHPGDTAS1R3TAS1R1
SCHEMBL7084033 0.92 CTNNB1 (0.46) CTNNB1WNT3AHPGDTAS1R3TAS1R1
SCHEMBL10693468 0.89 CTNNB1 (0.47) CTNNB1WNT3ATAS1R3TAS1R1KEAP1
SCHEMBL7762954 0.82 CTNNB1 (0.47) CTNNB1WNT3ATAS1R3TAS1R1KEAP1
SCHEMBL6975547 0.81 CTNNB1 (0.45) CTNNB1WNT3ATAS1R3TAS1R1KEAP1
SCHEMBL8139356 0.80 CTNNB1 (0.51) CTNNB1WNT3AKEAP1NFE2L2CLK1
SCHEMBL11519067 0.75 DYRK1A (0.44) CTNNB1WNT3AKEAP1NFE2L2CLK1
SCHEMBL22428725 0.75 CTNNB1 (0.70) CTNNB1WNT3AHPGDTAS1R3TAS1R1
SCHEMBL9920513 0.74 CTNNB1 (0.48) CTNNB1WNT3AHPGDTAS1R3TAS1R1
SCHEMBL27629579 0.71 CTNNB1 (0.68) CTNNB1WNT3AHPGDTAS1R3TAS1R1

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
US-4791104-A HYPOTENSIVE, ANTILIPEMIC, ANTIHROMBOTIC, ANTIHYPOXIC AGENTS MAGGIONI-WINTHROP S.P.A. (IT) 1988-12-13 US disclosed
WO-1987002359-A1 DIHYDROBENZOTHIOPHENE AND THIOCHROMANE AMINOALCOHOLS MAGGIONI-WINTHROP S.P.A. (IT) 1987-04-23 WO disclosed