SCHEMBL7040158

SCHEMBL7040158

c1ccc2c(c1)CCC21c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
MAOB P27338 1/20 0.46
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2A P28223 2/20 0.40
SIGMAR1 Q99720 3/20 0.38
HDAC9 Q9UKV0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CES1 P23141 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 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
SCHEMBL5687667 0.89 KDM1A (0.50) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL13432729 0.85 KDM1A (0.36) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL25177392 0.85 PDK2 (0.45) KDM1AMAOBTDP1SIGMAR1
SCHEMBL7598821 0.82 TDP1 (0.45) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL15518954 0.81 KDM1A (0.44) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL6337745 0.78 HDAC9 (0.49) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL30968886 0.77 PDK2 (0.34) KDM1AMAOBHTR2AALDH1A1TP53
SCHEMBL25170537 0.77 PDK2 (0.34) KDM1AMAOBHTR2AALDH1A1TP53
SCHEMBL14595426 0.76 PDK2 (0.37) KDM1AMAOBHTR2ASIGMAR1ALDH1A1
SCHEMBL31347965 0.74 TSHR (0.45) KDM1AMAOBTSHRTDP1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9190618-B2 Material for organic electronic device, and organic electronic device using same LG CHEM, LTD. (KR) 2015-11-17 US claimed
US-9118023-B2 2015-08-25 US claimed
US-20140231783-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2014-08-21 US claimed
US-20030125504-A1 Product from melt of wholly aromatic polyester and aromatic polycarbonate and process for producing the same TEIJIN LIMITED (JP) 2003-07-03 US disclosed
EP-1293537-A1 PRODUCT FROM MELT OF WHOLLY AROMATIC POLYESTER AND AROMATIC POLYCARBONATE AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2003-03-19 EP disclosed