SCHEMBL9216355

SCHEMBL9216355

CCOC(=O)c1occ2cc(CCC(C)C)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALOX15 P16050 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL9217582 0.83 GRIN2D (0.47) GRIN2DGRIN2AGRIN2BGRIN2CKMT2A
SCHEMBL29120037 0.82 CYP4F2 (0.50) AKR1B1CA12CA2CA7CA9
SCHEMBL9121263 0.78 MAOA (0.49) AKR1B1CA12CA2CA7CA9
SCHEMBL7628834 0.77 ALDH1A1 (0.47) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL8716110 0.77 LMNA (0.47) AKR1B1CA12CA2CA7CA9
SCHEMBL1511820 0.76 KDM4E (0.51) CA12CA2CA7CA9CA14
SCHEMBL9211979 0.75 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL10950510 0.75 CYP1A2 (0.36) AKR1B1MEN1ALDH1A1MAPTKMT2A
SCHEMBL9216346 0.75 CA12 (0.51) AKR1B1CA12CA2CA7CA9
SCHEMBL11453854 0.75 MMP2 (0.37) AKR1B1KDM4EAHRERN1

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