SCHEMBL1898012

SCHEMBL1898012

C=COC(=O)c1ccccc1C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.38
HCRTR2 O43614 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CFTR P13569 1/20 0.35
SLC6A3 Q01959 2/20 0.34
HNF4A P41235 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MGLL Q99685 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 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
SCHEMBL1901843 0.96 KDM4E (0.39) PDE10AKDM4ESMN1; SMN2CFTRHNF4A
SCHEMBL6552825 0.79 PTGDR2 (0.44) KDM4ESMN1; SMN2SLC6A3ALDH1A1HPGD
SCHEMBL28357866 0.79 CYP2C9 (0.45) PDE10AHCRTR2SLC6A3ALDH1A1
SCHEMBL31618549 0.78 KDM4E (0.56) KDM4ESMN1; SMN2CFTRHNF4AALDH1A1
SCHEMBL20684259 0.77 HPGD (0.40) PDE10AHCRTR2KDM4ECFTRSLC6A3
SCHEMBL18197662 0.77 HCRTR2 (0.42) PDE10AHCRTR2KDM4ESMN1; SMN2CFTR
SCHEMBL18721775 0.74 HCRTR2 (0.40) PDE10AHCRTR2KDM4ESMN1; SMN2CFTR
SCHEMBL18195539 0.74 HCRTR2 (0.40) PDE10AHCRTR2KDM4ESMN1; SMN2CFTR
SCHEMBL29197935 0.73 CYP3A4 (0.50) CFTRALDH1A1HSD17B10
SCHEMBL21295981 0.71 ALDH1A1 (0.33) PDE10AALDH1A1MGLLTAS1R3TAS1R1

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-20110101503-A1 HYPERBRANCHED POLYMER SYNTHESIZING METHOD, HYPERBRANCHED POLYMER, RESIST COMPOSITION, SEMICONDUCTOR INTEGRATED CIRCUIT, AND SEMICONDUCTOR INTEGRATED CIRCUIT FABRICATION METHOD LION CORPORATION (JP) 2011-05-05 US disclosed