SCHEMBL14459557

SCHEMBL14459557

CCCCCCn1cc(CCC(=O)O)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.77
ICMT O60725 2/20 0.67
OXER1 Q8TDS5 1/20 0.60
CNR2 P34972 7/20 0.56
ADRA1D P25100 3/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CNR1 P21554 1/20 0.54
MCL1 Q07820 1/20 0.54
CREBBP Q92793 1/20 0.53

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
SCHEMBL8143904 0.99 CDC25A (0.74) CDC25AICMTOXER1CNR2ADRA1D
SCHEMBL13061260 0.89 CDC25A (0.60) CDC25AICMTOXER1CNR2ADRA1D
SCHEMBL9700510 0.87 CDC25A (1.00) CDC25AICMTCNR2KDM4EALDH1A1
SCHEMBL15747697 0.87 CDC25A (1.00) CDC25AICMTCNR2KDM4EALDH1A1
SCHEMBL2429439 0.85 CDC25A (0.97) CDC25AICMTCNR2KDM4EALDH1A1
SCHEMBL9210193 0.84 PLK1 (0.58) CDC25AOXER1MCL1CREBBP
SCHEMBL10967590 0.83 CDC25A (0.66) CDC25AICMTCNR2CNR1
SCHEMBL8960035 0.83 CDC25A (0.60) CDC25AICMTOXER1ADRA1DADRA1A
SCHEMBL13061259 0.82 PLK1 (0.57) CDC25AADRA1DADRA1AMCL1CREBBP
SCHEMBL31370560 0.82 PLK1 (0.57) CDC25ACNR2ADRA1DADRA1AADRA1B

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-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed