SCHEMBL27618372

SCHEMBL27618372

CCOc1ccc(-n2c(CC)nc3c(C)c(C#N)c(C)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
CACNA2D1 P54289 7/20 0.40
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 3/20 0.37
PDE3A Q14432 1/20 0.37
USP14 P54578 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6895665 0.83 LMNA (0.34) ALDH1A1KDM4EHSD17B10TSHRGAA
SCHEMBL1625943 0.81 PTGER4 (0.38) HPGDALDH1A1KDM4EHSD17B10TSHR
SCHEMBL1627487 0.81 PTGER4 (0.36) ALDH1A1KDM4ETSHRGAAUSP14
SCHEMBL1625557 0.81 PTGER4 (0.36) ALDH1A1KDM4EHSD17B10USP2TSHR
SCHEMBL27582799 0.78 PTGER4 (0.36) ALDH1A1KDM4EGAAUSP14KMT2A
SCHEMBL1625661 0.77 USP14 (0.41) HPGDALDH1A1KDM4EHSD17B10TSHR
SCHEMBL27618314 0.77 RXFP1 (0.43) HPGDALDH1A1CACNA2D1RXFP1GAA
SCHEMBL7192338 0.76 RXRA (0.47) HSD17B10USP14MEN1KMT2ASMN1; SMN2
SCHEMBL27599858 0.72 CYP1A2 (0.40) HPGDALDH1A1USP2TSHRCACNA2D1
SCHEMBL27878094 0.67 CACNA2D1 (0.46) HPGDALDH1A1KDM4EHSD17B10CACNA2D1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100579518-C Use of EP4 receptor ligands for the manufacture of a medicament for the treatment of IL-6 related disorders PFIZER 2010-01-13 CN disclosed
CN-101023946-A Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER (US) 2007-08-29 CN disclosed
CN-1658847-A Use of EP4 receptor ligands for the treatment of IL-6 related disorders PFIZER (US) 2005-08-24 CN disclosed