SCHEMBL19361986

SCHEMBL19361986

CCC(=O)NC(CS)C(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
ACE P12821 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSMB5 P28074 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
FOLH1 Q04609 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGS1 P23219 1/20 0.30

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
SCHEMBL13857484 0.83 CYP2C9 (0.43) CYP2C9PSMB5MEN1KMT2ANPC1
SCHEMBL19155933 0.82 CYP2C9 (0.39) CYP2C9PSMB5MEN1KMT2ANPC1
SCHEMBL13122874 0.80 CYP2C9 (0.41) CYP2C9NFKB1PSMB5MEN1KMT2A
SCHEMBL14131182 0.80 CYP2C9 (0.41) CYP2C9NFKB1PSMB5MEN1KMT2A
SCHEMBL1804546 0.79 KDM4E (0.63) CYP2C9ACEKDM4EMAPTTHRB
SCHEMBL22657901 0.79 KDM4E (0.63) CYP2C9ACEKDM4EMAPTTHRB
SCHEMBL13402412 0.79 KDM4E (0.47) CYP2C9ACEKDM4EMAPTTHRB
SCHEMBL1804545 0.79 KDM4E (0.63) CYP2C9ACEKDM4EMAPTTHRB
SCHEMBL16749939 0.79 CYP2C9 (0.43) CYP2C9ACEKDM4EMAPTTHRB
SCHEMBL16549458 0.79 KDM4E (0.63) ACEKDM4EMAPTTHRBALOX15

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
WO-2019005966-A1 DENDRIMER DRUG CONJUGATES FOR SUSTAINED INTRA-ARTICULAR DELIVERY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-01-03 WO disclosed
US-9764037-B2 Conjugate compounds VICTORIA LINK LIMITED (NZ) 2017-09-19 US disclosed