SCHEMBL8366102

SCHEMBL8366102

Cc1csc(I)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
DAO P14920 3/20 0.38
NOTUM Q6P988 1/20 0.38
LDHA P00338 2/20 0.37
LDHB P07195 2/20 0.37
CYP3A4 P08684 1/20 0.36
ACHE P22303 1/20 0.36
GPR35 Q9HC97 2/20 0.36
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
CASP6 P55212 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 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
SCHEMBL4236884 0.77 POLB (0.44) L3MBTL1POLBTDP1DAONOTUM
SCHEMBL13814900 0.76 TSHR (0.43) DAOALDH1A1HDAC3HDAC4HDAC1
SCHEMBL6492073 0.76 POLB (0.53) L3MBTL1POLBTDP1DAONOTUM
SCHEMBL21543955 0.75 ADRA2A (0.55) POLBTDP1CYP3A4ALDH1A1MAPK1
SCHEMBL8304531 0.74 DAO (0.44) L3MBTL1POLBTDP1DAONOTUM
SCHEMBL20439927 0.74 DPP4 (0.43) DAOGPR35ALDH1A1MAPK1SMN1; SMN2
SCHEMBL17398273 0.74 TSHR (0.47) L3MBTL1POLBTDP1DAONOTUM
SCHEMBL190089 0.74 ALDH1A1 (0.41) L3MBTL1POLBTDP1DAONOTUM
SCHEMBL23413601 0.71 CA12 (0.39) L3MBTL1POLBTDP1DAONOTUM
SCHEMBL398932 0.70 L3MBTL1 (0.52) L3MBTL1POLBTDP1DAOGPR35

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775103-B1 RETINOIC ACID X-RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 1999-06-09 EP disclosed
US-5801253-A Retinoic acid X-receptor ligands HOFFMANN-LA ROCHE INC. (US) 1998-09-01 US disclosed
EP-0775103-A1 RETINOIC ACID X-RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 1997-05-28 EP disclosed
US-5587390-A Imidazole derivatives having a II antagonist activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1996-12-24 US disclosed
EP-0654030-B1 IMIDAZOLE DERIVATIVES HAVING ANGIOTENSIN II ANTAGONIST ACTIVITY LUSO FARMACO INST (IT) 1996-12-18 EP disclosed
WO-1996005165-A1 RETINOIC ACID X-RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 1996-02-22 WO disclosed
EP-0654030-A1 IMIDAZOLE DERIVATIVES HAVING A II ANTAGONIST ACTIVITY. LUSO FARMACO INST (IT) 1995-05-24 EP disclosed
WO-1994003449-A1 IMIDAZOLE DERIVATIVES HAVING A II ANTAGONIST ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1994-02-17 WO disclosed