SCHEMBL3930964

SCHEMBL3930964

COC(=O)Cc1ccc(O)c(CN2CCNC(=O)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ TLR7 Q9NYK1 2/20 0.37
▸ HSP90AB1 P08238 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 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
SCHEMBL3929448 0.86 TSHR (0.43) ALDH1A1GAAGFERPDCD1CD274
SCHEMBL3932131 0.81 CCR5 (0.51) SMN1; SMN2
SCHEMBL3937537 0.77 ALDH1A1 (0.49) ALDH1A1GAAGFERSMN1; SMN2KDM4E
SCHEMBL14367070 0.77 ALDH1A1 (0.49) ALDH1A1GAAGFERSMN1; SMN2KDM4E
SCHEMBL8145260 0.73 ALDH1A1 (0.68) ALDH1A1GAAGFERSMN1; SMN2KDM4E
SCHEMBL3932024 0.72 VEGFA (0.51) ALDH1A1GAAGFERSMN1; SMN2KDM4E
SCHEMBL14424032 0.71 ACHE (0.53) ALDH1A1GAAGFERHSP90AB1TSHR
SCHEMBL12552396 0.71 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2KDM4EPOLBTSHR
SCHEMBL22273409 0.70 ALDH1A1 (0.67) ALDH1A1GAAGFERKDM4EHSD17B10
SCHEMBL25205014 0.69 HSD17B10 (0.53) ALDH1A1GAASMN1; SMN2POLBHSD17B10

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
EP-2044044-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 — — EP disclosed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 — — WO disclosed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 — — WO disclosed
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