SCHEMBL995535

SCHEMBL995535

CC1(N)C=Cc2ccccc2C1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.37
KDM1A O60341 4/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
CYP2D6 P10635 2/20 0.33
KDM4E B2RXH2 2/20 0.31
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 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
SCHEMBL28116554 0.81 HTR2A (0.35) HTR2ACYP2D6KDM4EBRD4CCL2
SCHEMBL9233000 0.79 BRD4 (0.35) HTR2ACYP2D6KDM4EBRD4CCL2
SCHEMBL10445171 0.79 HTR2A (0.38) HTR2AKDM1AMAOAMAOBCYP2D6
Methane SCHEMBL5718665 0.79 HTR2A (0.35) HTR2ACYP2D6KDM4ELMNATP53
SCHEMBL15212735 0.75 RET (0.33) HTR2ACYP2D6CHRM2CHRM3RET
SCHEMBL28633554 0.75 SIGMAR1 (0.39) HTR2AKDM1ACYP2D6KDM4ELMNA
SCHEMBL8075462 0.75 HTR2A (0.33) HTR2ABRD4CCL2
SCHEMBL6763812 0.73 HTR2A (0.33) HTR2ACYP2D6KDM4ESMN1; SMN2
SCHEMBL27734830 0.72 HTR2A (0.34) HTR2ACYP2D6
SCHEMBL28725904 0.69 BRD4 (0.36) HTR2ACYP2D6KDM4EBRD4CCL2

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-2456306-A1 VITAMIN C AND VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATMENT OF OSTEOLYSIS OR PROLONGATION OF PROSTHETIC IMPLANT Summa Health System (US) 2012-05-30 EP disclosed
WO-2011011317-A1 VITAMIN C AND VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATMENT OF OSTEOLYSIS OR PROLONGATION OF PROSTHETIC IMPLANT SUMMA HEALTH SYSTEM (US) 2011-01-27 WO disclosed