SCHEMBL8648263

SCHEMBL8648263

COc1ccc([C](c2ccc(OC)cc2)c2ccc(C(c3ccc(OC)cc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 2/20 0.53
LMNA P02545 1/20 0.53
APEX1 P27695 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
PLK1 P53350 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
NR1I2 O75469 1/20 0.47

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
SCHEMBL10762267 0.92 CES2 (0.52) MAPTALDH1A1ALOX15LMNAAPEX1
SCHEMBL6682499 0.91 CES2 (0.55) MAPTALDH1A1ALOX15LMNAAPEX1
SCHEMBL2761265 0.91 CES2 (0.55) MAPTALDH1A1ALOX15LMNAAPEX1
SCHEMBL14856629 0.91 CES2 (0.55) MAPTALDH1A1ALOX15LMNAAPEX1
SCHEMBL719395 0.91 CES2 (0.55) MAPTALDH1A1ALOX15LMNAAPEX1
SCHEMBL8823207 0.91 CES2 (0.55) MAPTALDH1A1ALOX15LMNAAPEX1
SCHEMBL12227837 0.86 CA1 (0.65) MAPTALDH1A1ALOX15LMNAAPEX1
SCHEMBL41021 0.86 CA1 (0.65) MAPTALDH1A1LMNAMAPK1HSD17B10
SCHEMBL10033153 0.80 ESR2 (0.64) MAPTALDH1A1ALOX15LMNAAPEX1
SCHEMBL13211691 0.79 ESR2 (0.56) MAPTALDH1A1ALOX15LMNAAPEX1

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-0670310-B1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants LILLY CO ELI (US) 1998-09-02 EP disclosed
EP-0670310-A1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants ELI LILLY AND COMPANY (US) 1995-09-06 EP disclosed