SCHEMBL7380748

SCHEMBL7380748

CCOC(=O)C1(O)CCC1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.37
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 6/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 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
SCHEMBL7328219 0.89 F10 (0.39) F10POLBALDH1A1OPRM1SMN1; SMN2
SCHEMBL24565349 0.89 F10 (0.39) F10POLBALDH1A1OPRM1SMN1; SMN2
SCHEMBL24565293 0.87 F10 (0.38) F10POLBALDH1A1SMN1; SMN2KCNH2
SCHEMBL19419830 0.86 CYP3A4 (0.38) F10POLBALDH1A1SMN1; SMN2KCNH2
SCHEMBL24565300 0.86 CYP3A4 (0.38) F10POLBALDH1A1SMN1; SMN2KCNH2
SCHEMBL29094099 0.83 TSHR (0.37) F10POLBALDH1A1LMNAATM
SCHEMBL29631652 0.83 TSHR (0.37) F10POLBALDH1A1LMNAATM
SCHEMBL11396116 0.79 POLB (0.34) F10POLBALDH1A1OPRM1SMN1; SMN2
SCHEMBL28723335 0.74 KDM4E (0.36) F10POLBALDH1A1OPRM1SMN1; SMN2
SCHEMBL16391350 0.74 F10 (0.44) F10POLBLMNAMEN1KMT2A

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-0929547-B1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AG (DE) 2002-11-27 EP disclosed
US-6265404-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-07-24 US disclosed
US-6232325-B1 THROMBOSIS THERAPY BERLEX LABORATORIES, INC. 2001-05-15 US disclosed
US-6177473-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-01-23 US disclosed
US-6008234-A TREATING A HUMAN HAVING A DISEASE-STATE CHARACTERIZED BY THROMBOTIC ACTIVITY, INHIBITING HUMAN BLOOD COAGULATION FACTOR XA BERLEX LABORATORIES, INC. (US) 1999-12-28 US disclosed
EP-0929547-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998011094-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-19 WO disclosed