SCHEMBL7975491

SCHEMBL7975491

CC(C)Cc1ccc(OC(=O)NC(=N)c2cc[c]cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.41
CXCR1 P25024 3/20 0.37
CXCR2 P25025 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CHRM1 P11229 1/20 0.37
PDE4A P27815 1/20 0.37
PTGS1 P23219 3/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
AKR1C3 P42330 2/20 0.36
ALOX5 P09917 2/20 0.36
ALB P02768 1/20 0.36
ESR1 P03372 1/20 0.36
RARB P10826 1/20 0.36
ADRB3 P13945 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR2A P28223 1/20 0.36
NR1I3 Q14994 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36

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
SCHEMBL7993033 0.87 RAB9A (0.48) NPC1RAB9ALMNA
SCHEMBL7986173 0.85 THRB (0.46) NPC1RAB9ANFKB1
SCHEMBL7992755 0.83 SMN1; SMN2 (0.49) NPC1RAB9ANFKB1
SCHEMBL7989584 0.82 THRB (0.44) RARBNFKB1
SCHEMBL7989521 0.82 LMNA (0.42) LMNACYP2C9NFKB1
SCHEMBL7988304 0.82 SMN1; SMN2 (0.44) NPC1RAB9ALMNACYP2C9
SCHEMBL7974855 0.82 KMT2A (0.43) NPC1RAB9ALMNACYP2C9
SCHEMBL7985763 0.80 FAAH (0.47) LMNA
SCHEMBL7986382 0.80 FAAH (0.53) NPC1LMNACYP2C9TSHR
SCHEMBL7988545 0.79 SLC1A3 (0.41) NPC1RAB9ALMNANFKB1

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed