SCHEMBL6411641

SCHEMBL6411641

N#Cc1ccc(/C=C/C(=O)O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.49
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA3 P07451 3/20 0.49
CA4 P22748 3/20 0.49
CA6 P23280 3/20 0.49
CA5A P35218 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
CA5B Q9Y2D0 3/20 0.49
AKR1B10 O60218 2/20 0.49
AKR1B1 P15121 2/20 0.49
DPP4 P27487 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49

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
SCHEMBL6411645 1.00 SLC22A12 (0.49) SLC22A12KDM4EHSD17B10ALDH1A1CA12
SCHEMBL922228 0.87 KDM4E (0.49) SLC22A12KDM4EHSD17B10ALDH1A1CA12
SCHEMBL19900021 0.87 KDM4E (0.49) SLC22A12KDM4EHSD17B10ALDH1A1CA12
SCHEMBL922227 0.87 KDM4E (0.49) SLC22A12KDM4EHSD17B10ALDH1A1CA12
SCHEMBL6370153 0.85 SLC22A12 (0.44) SLC22A12KDM4EHSD17B10ALDH1A1CA12
SCHEMBL8153860 0.85 KDM4E (0.56) SLC22A12KDM4EHSD17B10ALDH1A1CA12
SCHEMBL8153863 0.85 KDM4E (0.56) SLC22A12KDM4EHSD17B10ALDH1A1CA12
SCHEMBL26623542 0.84 SLC22A12 (0.47) SLC22A12KDM4EHSD17B10ALDH1A1CA12
SCHEMBL9839942 0.83 TRPV4 (0.40) SLC22A12HDAC3HDAC4HDAC1HDAC7
SCHEMBL9839936 0.83 TRPV4 (0.40) SLC22A12HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed