SCHEMBL27501656

SCHEMBL27501656

CCOC(=O)OC(=O)c1ccccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SOAT1 P35610 1/20 0.48
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
ELANE P08246 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL10353821 0.91 TSHR (0.70) TSHRKMT2AMEN1ALDH1A1NPC1
SCHEMBL11521670 0.87 TSHR (0.78) TSHRKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL29201681 0.87 NPC1 (0.50) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL29535471 0.85 TSHR (0.80) TSHRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL1569293 0.85 TSHR (0.80) TSHRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL27585615 0.83 ALDH1A1 (0.49) TSHRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL27501881 0.83 TSHR (0.77) TSHRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL29436920 0.82 NPC1 (0.53) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL777261 0.82 NPC1 (0.53) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL8948919 0.81 TSHR (0.52) TSHRKMT2AMEN1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1140176-C Selective herbicides based on arylsulphonylaminocarbonyltriazolinones 2004-03-03 CN disclosed
CN-1238663-A Selective herbicides based on arylsulphonylaminocarbonyltriazolinones BAYER AG (DE) 1999-12-15 CN disclosed