SCHEMBL9216346

SCHEMBL9216346

CCOC(=O)c1cc2cc(CCC(C)C)ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA3 P07451 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
MAOB P27338 1/20 0.49
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.47
AKR1B1 P15121 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL5971468 0.88 CA12 (0.49) CA12CA2CA3CA4CA6
SCHEMBL10396247 0.85 CA12 (0.54) CA12CA2CA3CA4CA6
SCHEMBL25777700 0.85 CA12 (0.59) CA12CA2CA3CA4CA6
Hydrochloric Acid SCHEMBL10395799 0.84 CA12 (0.53) CA12CA2CA3CA4CA6
SCHEMBL15345915 0.84 LMNA (0.46) KDM4EHSD17B10LMNATAS1R3TAS1R1
SCHEMBL9217574 0.82 LMNA (0.61) CA12CA2CA3CA4CA6
SCHEMBL10395770 0.82 CA12 (0.56) CA12CA2CA3CA4CA6
SCHEMBL1066537 0.82 CA12 (0.71) CA12CA2CA3CA4CA6
SCHEMBL1066544 0.81 CA12 (0.55) CA12CA2CA3CA4CA6
SCHEMBL5619744 0.81 CA12 (0.55) CA12CA2CA3CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512570-B1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
CN-1067886-A New urea derivatives, their preparation method and pharmaceutical composition thereof FUJISAWA PHARMACEUTICAL CO (JP) 1993-01-13 CN disclosed
EP-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed