SCHEMBL6969891

SCHEMBL6969891

CC(CCC(=O)O)COCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.53
▸ FFAR1 O14842 2/20 0.49
▸ MME P08473 6/20 0.46
▸ MMP12 P39900 2/20 0.45
▸ ACE P12821 5/20 0.44
▸ ABCC4 O15439 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL5870182 0.91 FOLH1 (0.58) FOLH1TSHRHTT
SCHEMBL6955298 0.88 FOLH1 (0.44) FOLH1MMEMMP12LMNA
SCHEMBL7179932 0.82 FOLH1 (0.52) FOLH1HTT
SCHEMBL18576990 0.80 FFAR1 (0.61) FFAR1MMEACEABCC4LMNA
SCHEMBL14866825 0.79 IDO1 (0.47) TSHR
SCHEMBL27710469 0.78 KDM4E (0.49) FOLH1MMELMNAHTT
SCHEMBL21572801 0.78 LMNA (0.45) MMEABCC4LMNAGAATSHR
SCHEMBL14135221 0.77 FFAR1 (0.50) FOLH1FFAR1
SCHEMBL2608877 0.76 IDO1 (0.52) TSHR
SCHEMBL31648059 0.76 CPA3 (0.63) FOLH1

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
EP-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 — — EP disclosed
WO-2002057248-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 — — WO disclosed
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