SCHEMBL21242854

SCHEMBL21242854

CCc1c(C(=O)NNC(O)OC(C)(C)C)ccc2c1OCCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MTNR1A P48039 6/20 0.32
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
BRCA1 P38398 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL27797508 0.83 HSD17B10 (0.36) NPC1RAB9ASMN1; SMN2MTNR1AHSD17B10
SCHEMBL667429 0.82 SMN1; SMN2 (0.37) NPC1RAB9ASMN1; SMN2TP53GLA
SCHEMBL668079 0.81 NPC1 (0.36) NPC1RAB9ASMN1; SMN2TP53GLA
SCHEMBL1535936 0.78 MTNR1A (0.32) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10354177 0.78 MTNR1A (0.32) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL668910 0.76 MTNR1A (0.40) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL19380554 0.76 BAZ2B (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL19380488 0.74 MLYCD (0.39) NPC1RAB9ASMN1; SMN2TP53GLA
SCHEMBL19380489 0.72 POLB (0.38) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL19112080 0.72 TRPV1 (0.33) NPC1RAB9ASMN1; SMN2TP53GLA

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-3219204-B1 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM INTREXON CORP (US) 2019-08-07 EP disclosed