SCHEMBL1287152

SCHEMBL1287152

Fc1ccc(-c2csc(C3CC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 3/20 0.56
ALOX5 P09917 1/20 0.56
AR P10275 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TRPV1 Q8NER1 2/20 0.49
L3MBTL1 Q9Y468 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ATP4A P20648 2/20 0.46
ATP4B P51164 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
GAA P10253 1/20 0.46
NPY5R Q15761 1/20 0.45
HPGDS O60760 1/20 0.45

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
SCHEMBL3772350 0.89 HPGDS (0.59) RAB9AALDH1A1ALOX5ARKDM4E
SCHEMBL17183525 0.83 ALDH1A1 (0.63) RAB9AALDH1A1ALOX5KDM4ETRPV1
SCHEMBL2218485 0.83 ATP4A (0.47) RAB9AALDH1A1ALOX5KDM4EL3MBTL1
SCHEMBL3766121 0.82 TRPV1 (0.53) RAB9AALDH1A1ARTRPV1L3MBTL1
SCHEMBL20665833 0.82 RAB9A (0.52) RAB9AALDH1A1KDM4EL3MBTL1NPC1
SCHEMBL2224380 0.81 MAPK11 (0.50) RAB9AALDH1A1ALOX5ARKDM4E
SCHEMBL19399148 0.81 KDM4E (0.60) ALDH1A1KDM4ETRPV1L3MBTL1SMN1; SMN2
SCHEMBL21774235 0.79 ALDH1A1 (0.43) RAB9AALDH1A1KDM4ETRPV1L3MBTL1
SCHEMBL28730742 0.79 ALDH1A1 (0.43) RAB9AALDH1A1TRPV1L3MBTL1NPC1
SCHEMBL27402230 0.79 GAA (0.58) ARKDM4EMAOAMAOBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2967066-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Therapeutics Inc. (US) 2016-01-20 EP disclosed
WO-2014145068-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC. (US) 2014-09-18 WO disclosed
EP-2624916-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES Aerpio Therapeutics Inc. (US) 2013-08-14 EP disclosed
WO-2012047966-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AKEBIA THERAPEUTICS INC. (US) 2012-04-12 WO disclosed