SCHEMBL10316488

SCHEMBL10316488

CCC1(CC)CC(C(C)(C)C2CC(CC)(CC)c3ccccc32)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
KDM1A O60341 8/20 0.34
RCOR1 Q9UKL0 3/20 0.34
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
BCHE P06276 1/20 0.32
CHRM5 P08912 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
PRCP P42785 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32

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
SCHEMBL2988144 0.91 HTR2A (0.31) HTR2AKDM1ARCOR1CYP3A4MEN1
SCHEMBL2990097 0.81 HTR2A (0.35) HTR2AKDM1ARCOR1CYP3A4MEN1
SCHEMBL2993915 0.77 CYP3A4 (0.38) HTR2ACYP3A4MEN1CYP2D6ALOX15
SCHEMBL2999466 0.76 HTR2C (0.33) HTR2AKDM1ARCOR1CYP3A4MEN1
SCHEMBL10865321 0.75 HTR2A (0.37) HTR2AKDM1ARCOR1MAOAMAOB
SCHEMBL3000893 0.72 HTR2A (0.35) HTR2AKDM1ARCOR1MAOAMAOB
SCHEMBL2994793 0.66 HTR2A (0.31) HTR2AKDM1ARCOR1
SCHEMBL11311503 0.62 AKR1B1 (0.39) HTR2AKDM1ACYP3A4MEN1ALOX15
SCHEMBL18289375 0.60 OPRM1 (0.31)
SCHEMBL977743 0.60 HTR2A (0.33) HTR2A

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
US-8220609-B2 Torque limiter JTEKT CORPORATION (JP) 2012-07-17 US disclosed