SCHEMBL10187743

SCHEMBL10187743

O=C(O)C(Oc1ccccc1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.43
EPHX1 P07099 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7317414 0.81 OPRD1 (0.47) HSD17B10ALDH1A1TSHRKMT2APOLB
SCHEMBL27628262 0.81 SMN1; SMN2 (0.52) HSD17B10ALDH1A1LMNAL3MBTL1TSHR
SCHEMBL27628004 0.81 LMNA (0.49) ALDH1A1LMNAL3MBTL1TSHRKMT2A
SCHEMBL8696501 0.77 CYP2C9 (0.49) ALOX15ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL7318604 0.73 ITGB3 (0.55) HSD17B10ALOX15ALDH1A1LMNAL3MBTL1
SCHEMBL627906 0.73 ALDH1A1 (0.73) HSD17B10ALDH1A1LMNAL3MBTL1TSHR
SCHEMBL1706030 0.73 ALDH1A1 (0.73) HSD17B10ALDH1A1LMNAL3MBTL1TSHR
SCHEMBL14653103 0.72 ALOX15 (0.84) HSD17B10ALOX15ALDH1A1L3MBTL1KMT2A
SCHEMBL9417303 0.72 MEN1 (0.56) HSD17B10ALOX15ALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL15063255 0.71 ALDH1A1 (0.77) HSD17B10ALDH1A1LMNAL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473491-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed