SCHEMBL3463619

SCHEMBL3463619

CCC1(CCOC(C)=O)COC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRNB2 P17787 1/20 0.35
TBXA2R P21731 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNA10 Q9GZZ6 1/20 0.35
CHRNA9 Q9UGM1 1/20 0.35

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
SCHEMBL22980748 0.84 ALDH1A1 (0.35) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL244964 0.83 THRB (0.46) ALDH1A1TSHR
SCHEMBL3462874 0.81 TSHR (0.46) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL17123534 0.81 TSHR (0.48) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL1357080 0.80 TSHR (0.47) ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL27888794 0.78 ATM (0.37) TSHR
SCHEMBL13882270 0.77 ALDH1A1 (0.42) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL798599 0.77 THRB (0.44) ALDH1A1TSHR
SCHEMBL3463298 0.77 EPHX1 (0.41) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL27513820 0.76 EPHX1 (0.32) EPHX1

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-2204388-B1 PROCESS FOR THE PRODUCTION OF WATER-ABSORBING RESINS AND WATER-ABSORBING RESINS OBTAINED BY THE PROCESS SUMITOMO SEIKA CHEMICALS (JP) 2012-11-21 EP disclosed
EP-2204388-A1 PROCESS FOR THE PRODUCTION OF WATER-ABSORBING RESINS AND WATER-ABSORBING RESINS OBTAINED BY THE PROCESS Sumitomo Seika Chemicals CO. LTD. (JP) 2010-07-07 EP disclosed