SCHEMBL8304064

SCHEMBL8304064

CC(C)(C)OC(=O)N(CCC(=O)O)Cc1cccs1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
TRPM8 Q7Z2W7 8/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RIPK1 Q13546 1/20 0.44
LTA4H P09960 1/20 0.43
TP53 P04637 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL8444923 0.88 POLB (0.44) POLBTDP1TRPM8ALDH1A1SMN1; SMN2
SCHEMBL1425235 0.83 POLB (0.63) POLBTDP1TRPM8ALDH1A1SMN1; SMN2
SCHEMBL15239063 0.81 POLB (0.51) POLBTDP1TRPM8RIPK1CTSK
SCHEMBL15239125 0.80 POLB (0.56) POLBTDP1TRPM8RIPK1
SCHEMBL4147838 0.80 HDAC1 (0.56) ALDH1A1CTSSLMNAHTTNPSR1
SCHEMBL6121860 0.78 RIPK1 (0.61) POLBTDP1TRPM8SMN1; SMN2RIPK1
SCHEMBL6123057 0.77 CTSK (0.53) POLBTDP1TRPM8ALDH1A1SMN1; SMN2
SCHEMBL8303775 0.77 NPSR1 (0.45) POLBALDH1A1RIPK1TP53CTSS
SCHEMBL15239030 0.77 POLB (0.51) POLBTDP1TRPM8RIPK1TSHR
SCHEMBL3451204 0.77 POLB (0.45) POLBTDP1TRPM8ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583421-B1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SEARLE & CO (US) 1999-06-16 EP disclosed
EP-0512400-B1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use SEARLE & CO (US) 1998-12-02 EP disclosed
US-5576315-A Substituted dibenzoxazepine compounds and methods for treating osteoporosis and ischemia G.D. SEARLE & CO. (US) 1996-11-19 US disclosed
US-5464830-A ANALGESICS G. D. SEARLE & CO. (US) 1995-11-07 US disclosed
US-5378840-A Substituted dibenzoxazepine compounds G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
EP-0583421-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 EP disclosed
WO-1992019617-A2 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1992-11-12 WO disclosed
EP-0512400-A1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. Searle & Co. (US) 1992-11-11 EP disclosed