SCHEMBL17565189

SCHEMBL17565189

CCC(C)(C)c1cc(C)cc(Cc2cc(C)cc(C)c2OCCO)c1OCCO

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
S1PR1 P21453 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
RARG P13631 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 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
SCHEMBL17565178 0.88 HSPA5 (0.47) HSPA5HTR1ACYP2C9CYP2C19HIF1A
SCHEMBL12113657 0.84 HTR1A (0.48) HSPA5HTR1AHSD17B10KDM4EALDH1A1
SCHEMBL17565213 0.84 HTR1A (0.39) HTR1ASMN1; SMN2HSD17B10CYP2D6KDM4E
SCHEMBL17565177 0.80 HTR1A (0.43) HTR1AHSD17B10KDM4EALDH1A1S1PR1
SCHEMBL17549776 0.80 HTR1A (0.39) HTR1ACYP2D6KDM4EALDH1A1CYP3A4
SCHEMBL17565182 0.79 KDM4E (0.36) HTR1AKDM4EALDH1A1GLAMAPT
SCHEMBL17565208 0.77 HTR1A (0.34) HTR1ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL17565193 0.75 HTR1A (0.46) HTR1ASMN1; SMN2CYP2D6KDM4EALDH1A1
SCHEMBL17565200 0.74 HTR1A (0.33) HTR1AKDM4EALDH1A1MAPT
SCHEMBL3398525 0.73 HTR1A (0.58) HTR1AHSD17B10KDM4EALDH1A1S1PR1

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-20160071992-A1 BACK SHEET FOR SOLAR CELLS AND SOLAR CELL MODULE FUJIFILM CORPORATION (JP) 2016-03-10 US disclosed