SCHEMBL27640786

SCHEMBL27640786

O=C(O)c1ccc(CC(=O)c2ccc(O)c(F)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
LMNA P02545 2/20 0.58
HSD17B10 Q99714 1/20 0.58
SRD5A2 P31213 2/20 0.50
ACHE P22303 1/20 0.48
GRIN2B Q13224 4/20 0.46
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
SELE P16581 1/20 0.46
P4HB P07237 1/20 0.45
VNN1 O95497 1/20 0.43
SNCA P37840 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL4291295 0.89 LMNA (0.54) KDM4ELMNAHSD17B10ACHEGRIN2B
SCHEMBL30574898 0.80 KDM4E (0.71) KDM4ELMNAHSD17B10ACHESELL
SCHEMBL226720 0.80 KDM4E (0.71) KDM4ELMNAHSD17B10ACHESELL
SCHEMBL27661360 0.80 KDM4E (0.62) KDM4ELMNAHSD17B10SRD5A2ACHE
SCHEMBL27661246 0.80 KDM4E (0.62) KDM4ELMNAHSD17B10ACHESELL
SCHEMBL10706698 0.79 SRD5A2 (0.49) KDM4ELMNAHSD17B10SRD5A2SELL
Water SCHEMBL4310345 0.79 KDM4E (0.69) KDM4ELMNAHSD17B10ACHESELL
SCHEMBL13381377 0.78 SRD5A2 (0.74) KDM4ESRD5A2CA12CA1CA2
SCHEMBL3468841 0.78 KDM4E (0.68) KDM4ELMNAHSD17B10SRD5A2ACHE
SCHEMBL7167952 0.78 SRD5A2 (0.62) LMNASRD5A2MAPTL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1856461-A Cycloalkylene compounds as estrogen receptor modulators SMITHKLINE BEECHAM CORP (US) 2006-11-01 CN disclosed