SCHEMBL8438545

SCHEMBL8438545

COc1ccc(Cc2nc(C(O)[C@@H](N)C(C)C)no2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 1/20 0.48
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX15 P16050 1/20 0.47
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 3/20 0.43
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40

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
SCHEMBL8432982 0.86 TAAR1 (0.45) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
Hydrochloric Acid SCHEMBL8435752 0.85 TAAR1 (0.44) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL8433420 0.85 IDH1 (0.42) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
Hydrochloric Acid SCHEMBL8434597 0.84 IDH1 (0.41) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL8438749 0.79 TSHR (0.51) TDP1L3MBTL1KDM4ETSHRMAPK1
SCHEMBL8433686 0.78 PTGS1 (0.34)
Hydrochloric Acid SCHEMBL8437492 0.78 TSHR (0.50) TDP1L3MBTL1KDM4ETSHRMAPK1
Hydrochloric Acid SCHEMBL8435682 0.77 PTGS1 (0.33)
Hydrochloric Acid SCHEMBL8495697 0.76 RAB9A (0.44) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL8437485 0.74 PRSS1 (0.61) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1

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
US-5874585-A TREATMENT AND/OR PREVENTION OF ELASTASE-MEDIATED PROBLEMS SUCH AS ARTHRITIS, PERIODONTAL DISEASE, GLOMERULONEPHRITIS, DERMATITIS, PSORIASIS, CYSTIC FIBROSIS, CHRONIC BRONCHITIS, ALZHEIMER'S DISEASE CORTECH, INC. (US) 1999-02-23 US disclosed