SCHEMBL9800987

SCHEMBL9800987

C=CCOC[C@H]1O[C@H](OCC=C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.46
PTPN1 P18031 5/20 0.45
CDC25B P30305 5/20 0.45
SSTR1 P30872 1/20 0.45
SSTR2 P30874 1/20 0.45
SSTR4 P31391 1/20 0.45
SSTR3 P32745 1/20 0.45
SSTR5 P35346 1/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.44
PTPN2 P17706 2/20 0.44
PTPN6 P29350 2/20 0.44
PTPN11 Q06124 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
SELP P16109 1/20 0.43
KMT2A Q03164 1/20 0.43
TACR1 P25103 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6553277 0.94 CYP2D6 (0.46) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL6553285 0.94 CYP2D6 (0.46) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL9800986 0.90 SLC6A2 (0.41) NT5EPTPN1CDC25BTSHRLMNA
SCHEMBL9801115 0.89 NT5E (0.54) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL7079489 0.89 PTPN1 (0.51) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL7079491 0.89 PTPN1 (0.51) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL16581478 0.88 SSTR1 (0.52) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL181078 0.88 SSTR1 (0.52) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL8814600 0.86 PDPK1 (0.40) NT5EPTPN1CDC25BLMNAPTPN2
SCHEMBL9853907 0.86 CYP2D6 (0.54) TSHRLMNACYP2D6ALDH1A1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4987223-A INTERMEDIATES FOR GLYCOSIDE ENZYME SUBSTRATES CHOAY S.A. (FR) 1991-01-22 US disclosed
US-4818816-A ANTICOAGULANT CHOAY, S.A. (FR) 1989-04-04 US disclosed
EP-0082793-A1 Derivatives with a uronic acid structure, their preparation and their biological applications D.R.O.P.I.C. (Société Civile) (FR) 1983-06-29 EP disclosed