SCHEMBL7485102

SCHEMBL7485102

COC(=O)C12CCC(CC(O)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL29645202 0.85 GLA (0.40) GLAALDH1A1HTTNPSR1L3MBTL1
SCHEMBL3704482 0.81 ALDH1A1 (0.42) GLAALDH1A1HTTNPSR1L3MBTL1
SCHEMBL2871065 0.80 CHRNB2 (0.41) GLAALDH1A1HTTNPSR1L3MBTL1
SCHEMBL5188438 0.77 NPSR1 (0.39) GLAALDH1A1HTTNPSR1L3MBTL1
SCHEMBL19808298 0.77 HSD11B1 (0.37) GLAALDH1A1HTTNPSR1L3MBTL1
SCHEMBL25891422 0.76 HSD11B1 (0.41) GLAALDH1A1HTTNPSR1L3MBTL1
Hydrochloric Acid SCHEMBL29184967 0.75 NPSR1 (0.38) GLAALDH1A1HTTNPSR1L3MBTL1
SCHEMBL21119171 0.73 ALDH1A1 (0.36) GLAALDH1A1HTTNPSR1L3MBTL1
SCHEMBL13940036 0.73 GLA (0.33) GLAALDH1A1TSHR
SCHEMBL905300 0.73 GLA (0.57) GLAALDH1A1NPSR1L3MBTL1POLB

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 5 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