SCHEMBL27588996

SCHEMBL27588996

CC(=O)Oc1ccc(I)c(C(=O)OC(C)(C)C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.38
▸ GRM6 O15303 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ CISD2 Q8N5K1 1/20 0.34
▸ CFD P00746 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ SNCA P37840 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32

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
SCHEMBL27379419 0.77 GRM6 (0.40) GRM6CISD2CYP2C19
SCHEMBL27379293 0.77 GRM6 (0.40) GRM6CISD2CYP2C19
SCHEMBL30755194 0.75 NR1H2 (0.40) GRM6POLBCISD2CYP2C19
SCHEMBL993670 0.73 TSHR (0.34) ACHEKDM4EALDH1A1GAATSHR
SCHEMBL27606975 0.73 CYP4F2 (0.41) KDM4EALDH1A1GAATSHRRAB9A
SCHEMBL12723861 0.71 ACHE (0.57) ACHEPOLBKDM4EALDH1A1GAA
SCHEMBL16680874 0.70 GRM6 (0.40) GRM6POLBKDM4EALDH1A1GAA
SCHEMBL16115116 0.70 CFD (0.45) GRM6KDM4EALDH1A1GAATSHR
SCHEMBL24195886 0.69 KDM4E (0.47) ACHEKDM4EALDH1A1GAATSHR
SCHEMBL27770533 0.69 GRM6 (0.41) ACHEGRM6POLBKDM4EALDH1A1

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
CN-101284773-A Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO (JP) 2008-10-15 — — CN disclosed
CN-1551866-A Carboxylic acid derivative compounds and drugs containing these compounds as active ingredient СҰҩƷ��ҵ��ʽ���� 2004-12-01 — — CN disclosed
Send feedback