SCHEMBL8778403

SCHEMBL8778403

CC[C@@H](CCc1ccccc1)NC(=O)CC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CMA1 P23946 1/20 0.47
POLB P06746 3/20 0.47
LMNA P02545 2/20 0.47
CNR2 P34972 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP2 P08253 5/20 0.44
MMP3 P08254 3/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 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
SCHEMBL8755186 0.85 HPGD (0.59) POLBLMNAHPGD
SCHEMBL12294114 0.85 HPGD (0.59) POLBLMNAHPGD
SCHEMBL10078884 0.79 TSHR (0.49) TSHRSMN1; SMN2HPGDMEN1HTT
SCHEMBL24780326 0.74 CHRNB2 (0.53)
SCHEMBL11904821 0.73 SMN1; SMN2 (0.51) POLBLMNACNR2TSHRSMN1; SMN2
SCHEMBL18896343 0.73 POLB (0.69) POLBLMNACNR2HPGDMEN1
SCHEMBL13273976 0.72 HPGD (0.45) NPC1RAB9AHPGD
SCHEMBL11904837 0.72 SMN1; SMN2 (0.53) POLBLMNACNR2TSHRSMN1; SMN2
SCHEMBL28421638 0.72 PLA2G2C (0.44) PRSS1CTSGCTRB1CMA1NPC1
SCHEMBL8331572 0.72 NPC1 (0.61) POLBLMNASMN1; SMN2NPC1RAB9A

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-0813542-A1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP disclosed