SCHEMBL28115065

SCHEMBL28115065

Cc1ccc(SC(C)(C)Cc2ccc(Sc3ccc(C(=O)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.44
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AKR1C3 P42330 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARG P37231 3/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
VCAM1 P19320 1/20 0.38
PPARA Q07869 1/20 0.38

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
Benzophenone SCHEMBL8073831 0.82 ALDH1A1 (0.61) SRD5A2ALDH1A1LMNAHPGDMEN1
SCHEMBL51730 0.82 ALDH1A1 (0.61) SRD5A2ALDH1A1LMNAHPGDMEN1
SCHEMBL3416574 0.81 RECQL (0.42) SRD5A2ALDH1A1LMNAHPGDMEN1
SCHEMBL1849021 0.80 ALDH1A1 (0.44) SRD5A2ALDH1A1LMNAHPGDMEN1
SCHEMBL29002853 0.79 SRD5A2 (0.39) SRD5A2ALDH1A1LMNAHPGDMEN1
SCHEMBL4110575 0.79 ALDH1A1 (0.63) SRD5A2ALDH1A1LMNAHPGDMEN1
SCHEMBL13674564 0.79 ALDH1A1 (0.63) SRD5A2ALDH1A1LMNAHPGDMEN1
SCHEMBL20722154 0.78 TDP1 (0.40) SRD5A2ALDH1A1LMNAHPGDMEN1
SCHEMBL4541590 0.78 TDP1 (0.40) SRD5A2ALDH1A1LMNAHPGDMEN1
SCHEMBL1850050 0.76 ALDH1A1 (0.53) SRD5A2ALDH1A1LMNAHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105102488-B Cyclic olefin resin ultra-violet solidified compositionss and the cyclic olefin resin film using which DIC株式会社 2017-03-15 CN disclosed