SCHEMBL10716870

SCHEMBL10716870

CC(C)COC(=O)Oc1ccc2c3cccc4c(OC(=O)O)ccc(c5cccc1c52)c43

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.43
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ELANE P08246 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CA2 P00918 2/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 2/20 0.33
DHODH Q02127 1/20 0.33
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
P2RX4 Q99571 1/20 0.33
NMBR P28336 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
SCHEMBL9762669 0.82 CA2 (0.34) TYMSALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL377249 0.81 KMT2A (0.40) TYMSALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL28685679 0.76 ALDH1A1 (0.44) ALDH1A1TSHRKDM4ESMN1; SMN2HSD17B10
SCHEMBL14095121 0.74 ALDH1A1 (0.48) TYMSALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL10344219 0.74 ALDH1A1 (0.56) ALDH1A1TSHRKDM4ESMN1; SMN2HSD17B10
SCHEMBL16039855 0.74 PTGER1 (0.40) TSHRSMN1; SMN2CACNA1FCACNA1DCACNA1S
SCHEMBL1960512 0.74 TSHR (0.45) ALDH1A1TSHRKDM4ESMN1; SMN2ELANE
SCHEMBL17502196 0.72 XDH (0.40)
SCHEMBL17502197 0.72 XDH (0.40)
SCHEMBL20398419 0.71 ALDH1A1 (0.53) ALDH1A1TSHRKDM4ESMN1; SMN2ELANE

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-0105398-B1 PROCESS FOR THE PRODUCTION OF LIGHT COLLECTORS BAYER AG (DE) 1987-07-22 EP disclosed
EP-0105398-A2 Process for the production of light collectors BAYER AG (DE) 1984-04-18 EP disclosed