SCHEMBL5982073

SCHEMBL5982073

CC(C)C(=O)N(CCC(O)Cc1cccc(C(F)(F)F)c1)NCCc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.51
PTGER2 P43116 6/20 0.51
TBXA2R P21731 1/20 0.43
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
USP2 O75604 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
NR1I2 O75469 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADRA2B P18089 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
SCHEMBL4944173 0.93 PTGER4 (0.51) PTGER4PTGER2TBXA2RCYP3A4CYP1A2
SCHEMBL5990886 0.91 PTGER4 (0.53) PTGER4PTGER2TBXA2RCYP3A4CYP1A2
SCHEMBL5982721 0.89 PTGER4 (0.51) PTGER4PTGER2TBXA2RCYP3A4CYP1A2
SCHEMBL4940816 0.84 PTGER4 (0.53) PTGER4PTGER2TBXA2RCYP3A4CYP1A2
SCHEMBL4937190 0.82 PTGER4 (0.51) PTGER4PTGER2TBXA2RCYP3A4CYP1A2
SCHEMBL4937202 0.81 PTGER4 (0.54) PTGER4PTGER2TBXA2RCYP3A4CYP1A2
SCHEMBL13992256 0.81 PTGER4 (0.59) PTGER4PTGER2TBXA2RCYP3A4CYP1A2
SCHEMBL5982971 0.81 CYP3A4 (0.43) PTGER4PTGER2CYP3A4CYP1A2CYP2D6
SCHEMBL4937196 0.80 PTGER4 (0.54) PTGER4PTGER2TBXA2RCYP3A4CYP1A2
SCHEMBL5983008 0.79 PTGER4 (0.51) PTGER4PTGER2TBXA2ROPRM1NR4A2

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
EP-1654219-A2 HYDRAZIDE DERIVATIVES AS PROSTAGLANDIN RECEPTORS MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
WO-2005012232-A2 HYDRAZIDE DERIVATIVES AS PROSTAGLANDIN RECEPTORS MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO disclosed