SCHEMBL4948853

SCHEMBL4948853

O=CCCc1ccccc1-c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.41
FEN1 P39748 8/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PTGS1 P23219 3/20 0.38
MEN1 O00255 2/20 0.38
PTGS2 P35354 2/20 0.38
KMT2A Q03164 2/20 0.38
FABP2 P12104 1/20 0.38
TSHR P16473 1/20 0.38
AKR1C4 P17516 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL4234360 0.84 DPP4 (0.50) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL16009843 0.79 PTGS1 (0.41) PTGS1MEN1PTGS2KMT2AFABP2
SCHEMBL10429634 0.77 RARB (0.49) ALOX5APFEN1
SCHEMBL7348409 0.75 TAAR1 (0.39) LMNAMAPTHIF1A
SCHEMBL27360818 0.75 DPP4 (0.47) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL18002835 0.74 RORC (0.45) PTGER1PTGER4PTGER3PTGER2
SCHEMBL2474403 0.74 PDE3B (0.45) ALOX5APFEN1PTPRCPTPN1PDE3B
SCHEMBL17951222 0.74 PTPRC (0.58) ALOX5APFEN1PTPRCPTPN1PDE3B
SCHEMBL11453895 0.72 GRIA4 (0.50) PTPRCPTPN1MEN1KMT2ATSHR
SCHEMBL19308531 0.72 FEN1 (0.50) ALOX5APFEN1PTPRCPTPN1PDE3B

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
WO-2008074717-A2 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYLPROPANOLS HAVING A PROFEN-LIKE SUBSTITUTED ARYL RESIDUE ALMA MATER STUDIORUM - UNIVERSITA DI BOLOGNA (IT) 2008-06-26 WO disclosed