SCHEMBL4401569

SCHEMBL4401569

COc1ccc2c(c1)CC1C3CC(C21)C1C2C=CC(C2)C31

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CYP19A1 P11511 2/20 0.40
GAA P10253 1/20 0.38
DRD1 P21728 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2C P28335 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
HTR2A P28223 1/20 0.34
NOS3 P29474 1/20 0.34

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
SCHEMBL4401574 0.97 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4402522 0.83 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4401575 0.81 MTNR1A (0.37) GAA
SCHEMBL4405540 0.80 DPP4 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4402553 0.79 MTNR1A (0.39) GAAALDH1A1HTR2C
SCHEMBL4405533 0.78 HTR2A (0.42) GAAALDH1A1HTR2CHTR2A
SCHEMBL4745421 0.74 KDM1A (0.31)
SCHEMBL4402533 0.71 CYP19A1 (0.39) CYP19A1DRD2DRD3DRD4HTR2A
SCHEMBL4402557 0.69 MEN1 (0.34) CYP19A1GAAALDH1A1HTR2CHTR2A
SCHEMBL4408092 0.68 MTNR1A (0.35)

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
US-8877422-B2 Resist underlayer film composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-04 US disclosed
US-20120108071-A1 RESIST UNDERLAYER FILM COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed