SCHEMBL8755598

SCHEMBL8755598

Cc1cccc(C(=O)c2cccc(N(C)C(=O)O)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ HSD17B1 P14061 4/20 0.49
▸ HSD17B2 P37059 4/20 0.49
▸ PARP1 P09874 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CNR2 P34972 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ VNN1 O95497 1/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ KCNK3 O14649 1/20 0.43
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL30229852 0.86 HSD17B1 (0.57) HSD17B1HSD17B2SMN1; SMN2TDP1
SCHEMBL1684295 0.86 HSD17B1 (0.57) HSD17B1HSD17B2SMN1; SMN2TDP1
Ammonia Solution, Strong SCHEMBL28786422 0.84 HSD17B1 (0.55) HSD17B1HSD17B2SMN1; SMN2TDP1
SCHEMBL29503529 0.80 PARP1 (0.68) POLBPARP1SMN1; SMN2CNR2TDP1
SCHEMBL186545 0.80 PARP1 (0.68) POLBPARP1SMN1; SMN2CNR2TDP1
Sulfuric Acid SCHEMBL27347184 0.80 HSD17B1 (0.51) HSD17B1HSD17B2SMN1; SMN2KMT2A
SCHEMBL28654162 0.80 POLB (0.49) POLBHSD17B1HSD17B2PARP1SMN1; SMN2
SCHEMBL28007816 0.79 HSD17B1 (0.48) HSD17B1HSD17B2PARP1SMN1; SMN2TDP1
Sulfuric Acid SCHEMBL27365736 0.79 HSD17B1 (0.50) HSD17B1HSD17B2SMN1; SMN2KMT2A
SCHEMBL81347 0.79 ATM (0.71) POLBPARP1SMN1; SMN2CNR2TDP1

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
EP-0628542-B1 Process for the preparation of organic carbamates BAYER AG (DE) 1997-04-09 — — EP disclosed
EP-0628542-A1 Process for the preparation of organic carbonates BAYER AG (DE) 1994-12-14 — — EP disclosed
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