SCHEMBL373559

SCHEMBL373559

O=C(O)O[C@H]1C[C@H]1OC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.32
LMNA P02545 2/20 0.32
BLM P54132 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRR1 P24046 1/20 0.30

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
SCHEMBL8897238 1.00 CYP2D6 (0.32) CYP2D6LMNABLMALOX15TSHR
SCHEMBL9170343 1.00 CYP2D6 (0.32) CYP2D6LMNABLMALOX15TSHR
SCHEMBL542044 1.00 CYP2D6 (0.32) CYP2D6LMNABLMALOX15TSHR
SCHEMBL15520112 0.87
SCHEMBL3047787 0.85
SCHEMBL1027597 0.85
SCHEMBL1080369 0.83 CYP1A2 (0.32) CYP1A2
SCHEMBL1077674 0.83 CYP1A2 (0.32) CYP1A2
SCHEMBL1078611 0.83 CYP1A2 (0.32) CYP1A2
SCHEMBL1037894 0.80 LMNA (0.31) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543264-B1 Rewritable thermosensitive recording medium TOPPAN PRINTING CO LTD (JP) 1995-05-03 EP claimed
EP-0008813-B1 PROCESSES FOR THE PREPARATION OF 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-12-01 EP claimed
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP disclosed
EP-2380891-B1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT (DE) 2013-12-11 EP disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 EP disclosed
EP-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed