SCHEMBL9099733

SCHEMBL9099733

[CH]=C(c1ccccc1)c1ccc(C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.60
CES1 P23141 2/20 0.60
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
ACHE P22303 1/20 0.48
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
AKR1C3 P42330 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.44
HSD11B1 P28845 1/20 0.44

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
SCHEMBL2082954 0.89 ALDH1A1 (0.52) CES2CES1NPC1RAB9AMEN1
SCHEMBL2462551 0.84 CES1 (0.47) CES2CES1MEN1KMT2ALMNA
SCHEMBL284994 0.84 CES1 (0.47) CES2CES1MEN1KMT2ALMNA
SCHEMBL60996 0.79 CES2 (0.65) CES2CES1NPC1RAB9AMEN1
SCHEMBL15301748 0.79 CES2 (0.65) CES2CES1NPC1RAB9AMEN1
SCHEMBL69744 0.79 CES2 (0.65) CES2CES1NPC1RAB9AMEN1
SCHEMBL69743 0.79 CES2 (0.65) CES2CES1NPC1RAB9AMEN1
SCHEMBL336773 0.79 CES2 (0.65) CES2CES1NPC1RAB9AMEN1
SCHEMBL235 0.75 ALDH1A1 (0.80) CES2CES1NPC1RAB9AMEN1
Benzophenone SCHEMBL5162782 0.75 ALDH1A1 (0.80) CES2CES1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1230925-C Organic thin film transistor NEC CORP (JP) 2005-12-07 CN claimed
CN-1230925-C Organic thin film transistor NEC CORP (JP) 2005-12-07 CN disclosed
US-5480753-A DURABILITY RICOH COMPANY, LTD. (JP) 1996-01-02 US disclosed