SCHEMBL17067909

SCHEMBL17067909

Bc1ccc2c(c1)-c1ccccc1CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.46
SRD5A2 P31213 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SRD5A1 P18405 1/20 0.43
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2A6 P11509 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SETD7 Q8WTS6 1/20 0.37
MITF O75030 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NR1H2 P55055 1/20 0.36

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
SCHEMBL12219054 0.87 SMN1; SMN2 (0.53) CES1SRD5A2RAB9ANPC1KDM4E
SCHEMBL4818156 0.79 CES1 (0.56) CES1SRD5A2TDP1L3MBTL1SRD5A1
SCHEMBL10070180 0.78 ALDH1A1 (0.59) SRD5A2TDP1RAB9ANPC1KDM4E
Dihydrophenanthrene SCHEMBL29404495 0.78 CES1 (0.68) CES1SRD5A2TDP1L3MBTL1SRD5A1
Dihydrophenanthrene SCHEMBL155991 0.78 CES1 (0.68) CES1SRD5A2TDP1L3MBTL1SRD5A1
Dihydrophenanthrene SCHEMBL30297028 0.78 CES1 (0.68) CES1SRD5A2TDP1L3MBTL1SRD5A1
SCHEMBL21512231 0.76 SETD7 (0.45) CES1SRD5A2TDP1L3MBTL1SRD5A1
SCHEMBL5357317 0.76 RAB9A (0.55) CES1SRD5A2TDP1L3MBTL1SRD5A1
SCHEMBL30436624 0.75 CES1 (0.65) CES1SRD5A2TDP1L3MBTL1SRD5A1
Dihydrophenanthrene SCHEMBL28876918 0.75 CES1 (0.65) CES1SRD5A2TDP1L3MBTL1SRD5A1

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
EP-2163550-B1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO (JP) 2015-09-09 EP disclosed