SCHEMBL8530967

SCHEMBL8530967

CC1(C)OC(=O)C(Cc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ELANE P08246 2/20 0.41
CTSG P08311 1/20 0.41
PRTN3 P24158 1/20 0.41
EP300 Q09472 1/20 0.40
CTRB1 P17538 1/20 0.39
CES2 O00748 3/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
TLR9 Q9NR96 1/20 0.38
FASN P49327 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL7417047 0.82 GLA (0.66) GLANPSR1ELANECTSGPRTN3
SCHEMBL16174918 0.78 GLA (0.49) GLANPSR1ELANECTSGPRTN3
SCHEMBL16174944 0.76 GLA (0.46) GLANPSR1ELANEEP300CTRB1
SCHEMBL2976090 0.76 EP300 (0.46) ELANEEP300CES2TSHRHTT
SCHEMBL11594580 0.71 TSHR (0.54) GLANPSR1EP300CTRB1CES2
SCHEMBL16174891 0.71 GLA (0.45) GLANPSR1EP300CTRB1TSHR
SCHEMBL3103917 0.70 GLA (0.66) GLANPSR1
SCHEMBL3093178 0.70 GLA (0.58) GLANPSR1HTT
SCHEMBL20878240 0.69 CTRB1 (0.46) EP300CTRB1CES2TSHRHTT
SCHEMBL3524746 0.69 GLA (0.43) GLANPSR1ELANECTSGPRTN3

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-0623606-B1 Peptidic ketones as interleukin-1beta-converting enzyme inhibitors SANOFI SA (FR) 1998-01-07 EP disclosed
US-5585486-A Peptidic ketones as interleukin-1β-converting enzyme inhibitors STERLING WINTHROP INC. (US) 1996-12-17 US disclosed
US-5462939-A Peptidic ketones as interleukin-1β-converting enzyme inhibitors STERLING WINTHROP INC. (US) 1995-10-31 US disclosed
EP-0623606-A2 Peptidic ketones as interleukin-1beta-converting enzyme inhibitors STERLING WINTHROP INC. (US) 1994-11-09 EP disclosed