SCHEMBL10549693

SCHEMBL10549693

COc1ccc(C(O[C]=O)C(=O)CCl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
FFAR1 O14842 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CNR2 P34972 3/20 0.39
LDHA P00338 1/20 0.38
CNR1 P21554 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
ACACB O00763 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CASR P41180 1/20 0.37
POLB P06746 1/20 0.37
CES2 O00748 1/20 0.37

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
SCHEMBL11211550 0.81 ALDH1A1 (0.40) RAB9AKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL19551413 0.77 KLK7 (0.54) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11171293 0.75 NPSR1 (0.43) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6285272 0.74 CNR2 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2FFAR1
SCHEMBL1521950 0.73 CA1 (0.50) RAB9AMEN1KMT2AALDH1A1FFAR1
SCHEMBL9626243 0.72 SMN1; SMN2 (0.44) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7216770 0.72 FFAR1 (0.53) KMT2AALDH1A1HTTFFAR1CNR2
SCHEMBL5484162 0.72 ALDH1A1 (0.49) RAB9AMEN1KMT2AALDH1A1FFAR1
SCHEMBL1354 0.71 CA1 (0.46) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9698724 0.71 KLK7 (0.47) RAB9AMEN1KMT2AALDH1A1L3MBTL1

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
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US disclosed