SCHEMBL8848809

SCHEMBL8848809

CC(C)Cn1nnc(-c2ccc(OC(=O)C(C)(C)C)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 1/20 0.48
LTA4H P09960 7/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC6A3 Q01959 3/20 0.46
ELANE P08246 3/20 0.46
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL8848788 0.84 MEN1 (0.64) LMNANPSR1LTA4HNPC1TSHR
SCHEMBL8848575 0.84 MAOB (0.54) LMNALTA4HNPC1TSHRRAB9A
SCHEMBL8848549 0.82 TP53 (0.52) LMNANPC1TSHRRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8848858 0.81 LTA4H (0.62) LMNALTA4HNPC1TSHRRAB9A
SCHEMBL8848722 0.81 RAB9A (0.65) LMNALTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL8848545 0.81 RAB9A (0.52) LMNANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL8848606 0.81 SMN1; SMN2 (0.51) LMNANPSR1NPC1TSHRRAB9A
SCHEMBL8848588 0.81 LTA4H (0.48) LMNALTA4HNPC1TSHRRAB9A
Hydrochloric Acid SCHEMBL8848620 0.80 LMNA (0.46) LMNALTA4HNPC1TSHRRAB9A
SCHEMBL8848732 0.80 RAB9A (0.51) LMNANPC1TSHRRAB9ASMN1; SMN2

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-5602161-A ELASTASE INHIBITORS; PREVENTING AND TREATING EMPHYSEMA, ENDOTOXIN-INDUCED LUNG DISORDERS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1997-02-11 US disclosed
EP-0676396-A1 Tetrazolylphenyl pivalate derivatives and medicinal composition containing the same as effective component Wakamoto Pharmaceutical Co., Ltd. (JP) 1995-10-11 EP disclosed