SCHEMBL9687259

SCHEMBL9687259

CC(=O)N1CC(C)(C)c2ccc(O)cc21

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.64
CNR2 P34972 1/20 0.40
HSD17B3 P37058 1/20 0.39
XIAP P98170 5/20 0.39
BIRC2 Q13490 5/20 0.39
AMPD2 Q01433 1/20 0.38
SNCA P37840 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL6605105 0.87 NOTUM (0.64) NOTUMCNR2HSD17B3AMPD2SNCA
SCHEMBL430124 0.84 NOTUM (0.64) NOTUMCNR2HSD17B3XIAPBIRC2
SCHEMBL395606 0.83 NOTUM (0.62) NOTUMCNR2HSD17B3XIAPBIRC2
SCHEMBL31481087 0.83 NOTUM (0.62) NOTUMCNR2HSD17B3XIAPBIRC2
SCHEMBL1042950 0.83 NOTUM (0.62) NOTUMCNR2XIAPBIRC2AMPD2
SCHEMBL17446878 0.83 NOTUM (0.62) NOTUMCNR2HSD17B3XIAPBIRC2
SCHEMBL31481108 0.83 NOTUM (0.62) NOTUMCNR2HSD17B3XIAPBIRC2
SCHEMBL17447342 0.81 NOTUM (0.60) NOTUMALDH1A1LMNACYP3A4
SCHEMBL1035499 0.80 NOTUM (0.59) NOTUMCNR2XIAPBIRC2AMPD2
SCHEMBL15032891 0.80 NOTUM (0.59) NOTUMCNR2XIAPBIRC2AMPD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511168-A1 Indoline hydrochloride salts and process for their preparation SANDOZ LTD. (CH) 1992-10-28 EP disclosed