SCHEMBL7927620

SCHEMBL7927620

CC(C)CC(/C=C/c1cccs1)C(C(=O)OC(C)(C)C)[C@@H](CC(C)C)C(=O)NN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 3/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MCL1 Q07820 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6979974 1.00 SMN1; SMN2 (0.39) SMN1; SMN2HPGDLMNAKMT2AMAPT
SCHEMBL6942458 0.84 ADAM17 (0.37) KMT2AMAPTALDH1A1MAPK1RECQL
SCHEMBL6943368 0.84 ADAM17 (0.37) KMT2AMAPTALDH1A1MAPK1RECQL
SCHEMBL6982391 0.79 RAB9A (0.41) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL6979636 0.78 ADAM17 (0.35) KMT2AMAPTALDH1A1MAPK1RECQL
SCHEMBL6986700 0.77 PSMB5 (0.36) KMT2AMAPTALDH1A1MAPK1RECQL
SCHEMBL6983531 0.77 REN (0.41) MAPTMAPK1KDM4EPOLB
SCHEMBL6986242 0.76 TDP1 (0.33) KMT2AMAPTALDH1A1RECQLMEN1
SCHEMBL6981635 0.76 MAPT (0.35) KMT2AMAPTALDH1A1MAPK1RECQL
SCHEMBL6984926 0.74 REN (0.39) KMT2AMAPK1MEN1

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-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed