SCHEMBL8924497

SCHEMBL8924497

O=C(O)CCc1[c]cccn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
KEAP1 Q14145 1/20 0.39
FFAR1 O14842 7/20 0.38
LMNA P02545 1/20 0.38
P4HTM Q9NXG6 1/20 0.35
TBXAS1 P24557 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SHMT2 P34897 1/20 0.34

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
SCHEMBL8924549 0.81 KDM4E (0.42) ALDH1A1LMNAP4HTMHSD17B10
SCHEMBL5263376 0.76
SCHEMBL9050336 0.73 KDM4E (0.33)
SCHEMBL4151368 0.73 FFAR1 (0.54) KEAP1FFAR1TBXAS1
SCHEMBL293923 0.72
SCHEMBL18787310 0.72
SCHEMBL28312719 0.72 LMNA (0.39) ALDH1A1LMNA
SCHEMBL8922169 0.71 LMNA (0.40) ALDH1A1LMNASHMT2
SCHEMBL241757 0.71 ALDH1A1 (0.48) ALDH1A1KEAP1FFAR1LMNAP4HTM
SCHEMBL5387075 0.71

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
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed