SCHEMBL4580777

SCHEMBL4580777

CC(=O)OC(CC(=O)O)(CC(=O)OC(=O)C(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
RECQL P46063 1/20 0.35
HIF1A Q16665 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KCNH2 Q12809 2/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
MRGPRX2 Q96LB1 1/20 0.33
CHRM3 P20309 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
MMP8 P22894 1/20 0.33
AKR1B1 P15121 1/20 0.33
LMNA P02545 3/20 0.32
CYP3A4 P08684 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
SCHEMBL10625241 0.78 CYP2D6 (0.35) ALDH1A1HIF1ACYP2C19ADRA1ACYP2D6
SCHEMBL242005 0.78 SLC13A5 (0.47) ALDH1A1HIF1ACYP2C19SMN1; SMN2AKR1B1
SCHEMBL8113429 0.76 TSHR (0.34) ALDH1A1HIF1ACYP2C19ADRA1ACYP2D6
SCHEMBL8462886 0.76 ALDH1A1 (0.48) ALDH1A1RECQLHIF1ACYP2C19SMN1; SMN2
SCHEMBL11605570 0.75 ALDH1A1 (0.47) ALDH1A1RECQLHIF1ACYP2C19SMN1; SMN2
SCHEMBL27549368 0.73 PAM (0.51) ALDH1A1HIF1ACYP2C19SMN1; SMN2AKR1B1
SCHEMBL284431 0.72 CYP2C19 (0.42) ALDH1A1HIF1ACYP2C19ADRA1AKDM4E
SCHEMBL597227 0.71 CYP2C19 (0.41) ALDH1A1HIF1ACYP2C19ADRA1AKDM4E
SCHEMBL21048439 0.71 CYP2C19 (0.41) ALDH1A1HIF1ACYP2C19ADRA1AKDM4E
Acetic Acid SCHEMBL15573268 0.71 CYP2C19 (0.41) ALDH1A1HIF1ACYP2C19ADRA1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407686-B2 Optical film, polarizing plate and display device utilising the film, and production method of optical film KONICA CORPORATION (JP) 2008-08-05 US disclosed
US-20060062936-A1 Optical film, polarizing plate and display device utilising the film, and production method of optical film KONICA CORPORATION 2006-03-23 US disclosed
US-20030170482-A1 Optical film, polarizing plate and display device utilizing the film, and production method of optical film KONICA CORPORATION (JP) 2003-09-11 US disclosed