SCHEMBL8387286

SCHEMBL8387286

Cc1ccc(C(=O)OOC(=O)C(C)C)cc1.Cc1csc(C(=O)OO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 4/20 0.34
PKM P14618 2/20 0.34
ALDH1A1 P00352 3/20 0.33
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
SCHEMBL8387289 0.94 DAO (0.41) DAOTDP1KMT2AMEN1ADRB2
SCHEMBL7649397 0.81 TDP1 (0.53) TDP1KMT2AMEN1ADRB2ADRB1
SCHEMBL7648805 0.73 ADRB2 (0.49) KMT2AMEN1ADRB2ADRB1ADRB3
SCHEMBL7656479 0.72 DAO (0.63) DAOTP53MAPT
SCHEMBL64626 0.69 TDP1 (0.70) TDP1KMT2AMEN1NPC1RAB9A
SCHEMBL10634048 0.67 TDP1 (0.67) TDP1KMT2AMEN1NPC1RAB9A
SCHEMBL268305 0.67 TDP1 (0.67) TDP1KMT2AMEN1NPC1RAB9A
SCHEMBL7652795 0.67 ALDH1A1 (0.54) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL2430960 0.66 LMNA (0.68) TDP1KMT2AADRB2ADRB1ADRB3
SCHEMBL7087792 0.66 CES2 (0.53) DAOKMT2AMEN1NPC1RAB9A

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
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed