SCHEMBL8125802

SCHEMBL8125802

CCCc1[c]ccc(Oc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.43
TSHR P16473 2/20 0.40
MAOB P27338 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKR1C3 P42330 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
SCHEMBL8125726 0.89 LTA4H (0.49) LTA4HTSHRALDH1A1
SCHEMBL8480190 0.86 LTA4H (0.44) LTA4HTSHRMAOBHSD17B10ALDH1A1
SCHEMBL7675265 0.82 LTA4H (0.50) LTA4HMAOBALDH1A1KDM4ESMN1; SMN2
SCHEMBL27518981 0.81 LTA4H (0.47) LTA4HTSHRMAOBHSD17B10ALDH1A1
SCHEMBL27628611 0.79 MAOB (0.44) LTA4HTSHRMAOBALDH1A1SMN1; SMN2
SCHEMBL7400862 0.79 DRD2 (0.35)
SCHEMBL9627150 0.78 LTA4H (0.35) LTA4HTSHRHSD17B10ALDH1A1KDM4E
SCHEMBL10368042 0.76 LTA4H (0.35) LTA4H
SCHEMBL11098034 0.75 LTA4H (0.39) LTA4HTSHRMAOBALDH1A1KDM4E
SCHEMBL27543978 0.74 LTA4H (0.38) LTA4HTSHRMAOBKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015434-A2 NOVEL PYRIMIDIN-4-ONE AND PYRIMIDIN-4-THIONE AS FUNGICIDE Novartis AG (CH) 2000-07-05 EP disclosed
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed
WO-1999014202-A2 NOVEL PYRIMIDIN-4-ONE AND PYRIMIDIN-4-THIONE AS FUNGICIDE NOVARTIS AG (CH) 1999-03-25 WO disclosed