SCHEMBL7453255

SCHEMBL7453255

CC(=O)CC(O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
FFAR1 O14842 1/20 0.40
NR3C2 P08235 1/20 0.40
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
ALOX5 P09917 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL279917 0.83 FFAR1 (0.51) STAT3ACHEALDH1A1FFAR1CYP2C19
SCHEMBL27573299 0.82 AOC3 (0.50) FFAR1CYP2C19POLBLMNA
SCHEMBL28757378 0.82 CYP1A2 (0.50) ALOX5
SCHEMBL27573301 0.82 AOC3 (0.50) FFAR1CYP2C19POLBLMNA
SCHEMBL3675113 0.82 CYP1A2 (0.50) ALOX5
SCHEMBL12338077 0.81 LMNA (0.56) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6991 0.81 LMNA (0.56) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6441268 0.81 LMNA (0.56) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL27553231 0.80 AOC3 (0.56) ALDH1A1MAPTFFAR1
SCHEMBL27553229 0.80 AOC3 (0.56) ALDH1A1MAPTFFAR1

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-1098885-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-16 EP disclosed
WO-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO disclosed
WO-2000005217-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-03 WO disclosed