SCHEMBL9718033

SCHEMBL9718033

CC(C)(C)OC(=O)NC(CCC(O)CO)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
NAMPT P43490 2/20 0.41
CTSK P43235 3/20 0.40
CYP3A4 P08684 6/20 0.40
ALDH1A1 P00352 1/20 0.40
CTSS P25774 1/20 0.40
MAPT P10636 1/20 0.38

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
SCHEMBL14931099 0.89 RAB9A (0.47) RAB9ANAMPTCTSKCYP3A4ALDH1A1
SCHEMBL757280 0.85 CTSK (0.50) CTSKALDH1A1CTSSMAPT
SCHEMBL4603000 0.84 RAB9A (0.47) RAB9ANAMPTCTSKCYP3A4ALDH1A1
SCHEMBL14923474 0.83 RAB9A (0.46) RAB9ANAMPTCTSKCYP3A4ALDH1A1
SCHEMBL9717939 0.83 RAB9A (0.45) RAB9ANAMPTCTSKCYP3A4ALDH1A1
SCHEMBL14923471 0.82 RAB9A (0.45) RAB9ANAMPTCTSKCYP3A4CTSS
SCHEMBL739456 0.82 SUCNR1 (0.49) RAB9ANAMPTCTSKCYP3A4CTSS
SCHEMBL739452 0.82 SUCNR1 (0.49) RAB9ANAMPTCTSKCYP3A4CTSS
SCHEMBL3371141 0.81 RAB9A (0.47) RAB9ANAMPTCTSKCYP3A4ALDH1A1
SCHEMBL18511285 0.81 KCNA5 (0.48) RAB9ANAMPTCTSKCYP3A4ALDH1A1

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
WO-1992019618-A1 PLATELET ACTIVATING ANTAGONISTS ABBOTT LABORATORIES (US) 1992-11-12 WO disclosed
US-5149704-A Pyridyl- or thiazolidineaminesor ureas ABBOTT LABORATORIES (US) 1992-09-22 US disclosed