SCHEMBL11818762

SCHEMBL11818762

CCOC(=O)c1cnc2cc(C3CCCCC3)ccc2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 1/20 0.43
▸ PDE4B Q07343 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ ACMSD Q8TDX5 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ XBP1 P17861 1/20 0.39

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
SCHEMBL11816576 0.91 MAPK1 (0.44) CSNK1DDYRK1AMEN1KMT2AMAPK1
SCHEMBL11816190 0.91 MAPK1 (0.44) CSNK1DDYRK1AMEN1KMT2AMAPK1
SCHEMBL11819779 0.91 MAPK1 (0.44) CSNK1DDYRK1AMEN1KMT2AMAPK1
SCHEMBL11819697 0.90 MAPK1 (0.45) CSNK1DDYRK1AMEN1KMT2AMAPK1
SCHEMBL11825260 0.87 ACMSD (0.44) CSNK1DDYRK1AMEN1KMT2AMAPK1
SCHEMBL11822989 0.85 MEN1 (0.44) CSNK1DDYRK1AMEN1KMT2AMAPK1
SCHEMBL11825265 0.85 MEN1 (0.44) CSNK1DDYRK1AMEN1KMT2AMAPK1
SCHEMBL11823043 0.83 ACMSD (0.45) MEN1KMT2AACMSDALDH1A1KDM4E
SCHEMBL11814299 0.82 ACMSD (0.56) KMT2AACMSDKDM4EHTTTDP1
SCHEMBL11813502 0.81 MEN1 (0.48) CSNK1DDYRK1AMEN1KMT2AMAPK1

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-3960868-A Derivatives of 6,7 or 8 cycloalkyl 4-oxo quinoline 3 carboxylic acid CIBA-GEIGY CORPORATION (US) 1976-06-01 — — US disclosed
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