SCHEMBL8562199

SCHEMBL8562199

CCn1c2c(c3cc(OCc4ccccc4)ccc31)CC(C(=O)O)CC2.O=C(O)C1CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.50
ADRA1A P35348 2/20 0.43
EGFR P00533 3/20 0.43
IGF1R P08069 3/20 0.43
FLT4 P35916 3/20 0.43
KDR P35968 3/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
AKR1C4 P17516 1/20 0.42
PTGS1 P23219 1/20 0.42
AKR1C1 Q04828 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7662475 0.91 EGFR (0.49) MAPKAPK2EGFRIGF1RFLT4KDR
SCHEMBL7666158 0.88 MAPKAPK2 (0.59) MAPKAPK2ADRA1AEGFRIGF1RFLT4
SCHEMBL28074607 0.82 EGFR (0.50) MAPKAPK2EGFRIGF1RFLT4KDR
SCHEMBL8562201 0.81 MAPKAPK2 (0.53) MAPKAPK2ADRA1AEGFRIGF1RFLT4
SCHEMBL28495179 0.81 GABRA1 (0.52) MAPKAPK2EGFRIGF1RFLT4KDR
SCHEMBL11682262 0.80 MAPKAPK2 (0.59) MAPKAPK2ADRA1AEGFRIGF1RFLT4
SCHEMBL11842906 0.80 MAPKAPK2 (0.54) MAPKAPK2ADRA1AEGFRIGF1RFLT4
SCHEMBL28074399 0.79 HDAC6 (0.49) EGFRIGF1RFLT4KDRAKR1C3
SCHEMBL8757765 0.79 MAPKAPK2 (0.60) MAPKAPK2ADRA1APDE3BPDE3AKDM4E
SCHEMBL28074596 0.78 AKR1C3 (0.54) EGFRIGF1RFLT4KDRAKR1C3

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