SCHEMBL8562201

SCHEMBL8562201

CCC1CC(C(=O)O)Cc2c1[nH]c1ccc(OCc3ccccc3)cc21.O=C(O)C1CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.53
S1PR1 P21453 6/20 0.45
ADRA1A P35348 1/20 0.43
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
EGFR P00533 1/20 0.42
IGF1R P08069 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL7662479 0.92 MAPKAPK2 (0.58) MAPKAPK2S1PR1
SCHEMBL7666158 0.89 MAPKAPK2 (0.59) MAPKAPK2ADRA1AHTR1DHTR1BEGFR
SCHEMBL11682262 0.83 MAPKAPK2 (0.59) MAPKAPK2S1PR1ADRA1AEGFRIGF1R
SCHEMBL8757765 0.82 MAPKAPK2 (0.60) MAPKAPK2ADRA1A
SCHEMBL28495179 0.82 GABRA1 (0.52) MAPKAPK2HTR1DHTR1BEGFRIGF1R
SCHEMBL8562199 0.81 MAPKAPK2 (0.50) MAPKAPK2ADRA1AHTR1DHTR1BEGFR
SCHEMBL11842906 0.80 MAPKAPK2 (0.54) MAPKAPK2ADRA1AHTR1DHTR1BEGFR
SCHEMBL8756935 0.77 GABRA1 (0.54) MAPKAPK2ADRA1AEGFR
SCHEMBL7655639 0.76 HTR1D (0.50) MAPKAPK2ADRA1AHTR1DHTR1BEGFR
SCHEMBL11831865 0.75 HTR1D (0.66) MAPKAPK2HTR1DHTR1BKDR

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
WO-1998006402-A1 TREATMENT OF THE COMMON COLD OR ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1998-02-19 WO disclosed
US-5708187-A MIGRANE HEADACHES ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed