SCHEMBL6861332

SCHEMBL6861332

COc1ccc(C2(c3cccn3C)C=Cc3ccccc3C2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.34
DRD5 P21918 8/20 0.34
DRD2 P14416 7/20 0.34
DRD3 P35462 7/20 0.34
DRD4 P21917 6/20 0.34
GAA P10253 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
PLIN1 O60240 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
PLIN5 Q00G26 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABHD5 Q8WTS1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6536525 0.77 SMN1; SMN2 (0.34) DRD1DRD5DRD2DRD3DRD4
SCHEMBL9113335 0.73 MAPT (0.36) DRD1DRD5DRD2DRD3DRD4
SCHEMBL6536361 0.72 GRIN2D (0.37) DRD1DRD5DRD2DRD3DRD4
SCHEMBL6536705 0.67 DRD1 (0.33) DRD1DRD5DRD2DRD3DRD4
SCHEMBL6536500 0.65 ATM (0.34) LMNAL3MBTL1
SCHEMBL4580890 0.64 SMN1; SMN2 (0.38) GAALMNAMAPTMEN1PLIN1
SCHEMBL7972739 0.62 MAPT (0.43) DRD2DRD4MAPTMEN1THRB
SCHEMBL4966926 0.60 HTR5A (0.40) DRD1DRD5DRD2DRD3GAA
SCHEMBL6536567 0.58 PARP1 (0.34) TSHR
SCHEMBL18043694 0.58 HTR3E (0.41) DRD1DRD5DRD2DRD3GAA

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
EP-1394595-B1 PLASTIC MOLDED PRODUCT HAVING PHOTOCHROMIC CHARACTERISTICS AND/OR POLARIZING CHARACTERISTICS MITSUBISHI GAS CHEMICAL CO (JP) 2013-05-01 EP disclosed
EP-1394595-A1 PLASTIC MOLDED PRODUCT HAVING PHOTOCHROMIC CHARACTERISTICS AND/OR POLARIZING CHARACTERISTICS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-03-03 EP disclosed