SCHEMBL28808652

SCHEMBL28808652

O=C(O)CSc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.71
RAB9A P51151 5/20 0.60
FFAR1 O14842 1/20 0.50
AKR1C3 P42330 1/20 0.50
NPC1 O15118 3/20 0.49
POLB P06746 3/20 0.49
HSP90AA1 P07900 1/20 0.49
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 2/20 0.45
APEX1 P27695 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
CDC25B P30305 1/20 0.43

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
SCHEMBL31136068 0.83 CYP1A2 (1.00) CYP1A2RAB9AFFAR1NPC1POLB
SCHEMBL340809 0.83 CYP1A2 (1.00) CYP1A2RAB9AFFAR1NPC1POLB
SCHEMBL28423660 0.82 RAB9A (0.51) CYP1A2RAB9AAKR1C3NPC1POLB
SCHEMBL11302203 0.81 RAB9A (0.50) CYP1A2RAB9AAKR1C3NPC1POLB
SCHEMBL14273063 0.80 CYP1A2 (0.73) CYP1A2RAB9AFFAR1GAAALDH1A1
SCHEMBL8174562 0.80 CYP1A2 (0.73) CYP1A2RAB9AFFAR1NPC1POLB
SCHEMBL14273049 0.80 CYP1A2 (0.73) CYP1A2RAB9AFFAR1NPC1POLB
SCHEMBL2407154 0.80 CYP1A2 (0.73) CYP1A2RAB9AFFAR1NPC1POLB
SCHEMBL8174554 0.80 CYP1A2 (0.73) CYP1A2RAB9AFFAR1NPC1POLB
SCHEMBL8376800 0.79 POLB (0.65) RAB9AAKR1C3POLBHSP90AA1GAA

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
CN-103703030-B Low mobility photoinitiator INSIGHT HIGH TECHNOLOGY BEIJING CO LTD 2015-06-10 CN disclosed
CN-103703030-A Low mobility photoinitiator BEIJING INSIGHT HIGH TECHNOLOGY CO LTD 2014-04-02 CN disclosed