SCHEMBL9960692

SCHEMBL9960692

CC[C@@H](Cc1ccc(F)cc1)OC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
PPARG P37231 3/20 0.41
EPHX2 P34913 1/20 0.41
TRPA1 O75762 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSK P43235 2/20 0.40
MAOB P27338 1/20 0.39
PARP10 Q53GL7 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARA Q07869 2/20 0.38
TSHR P16473 1/20 0.38
CPA1 P15085 1/20 0.38
RIPK1 Q13546 1/20 0.38
KLK7 P49862 2/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
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
SCHEMBL28948404 0.85 TRPA1 (0.46) PPARGTRPA1MAOBPARP10GAA
SCHEMBL15087380 0.85 CTSK (0.43) TDP1TRPA1CTSLCTSBCTSK
SCHEMBL9280171 0.83 CTSK (0.55) PPARGTRPA1CTSLCTSBCTSK
SCHEMBL16067482 0.80 TRPA1 (0.47) PPARGTRPA1MAOBPARP10PPARA
SCHEMBL23347642 0.77 TRPA1 (0.49) PPARGTRPA1MAOBPARP10GAA
SCHEMBL23347558 0.77 TRPA1 (0.49) PPARGTRPA1MAOBPARP10GAA
SCHEMBL28313231 0.75 EPHX2 (0.50) TDP1PPARGEPHX2TRPA1GAA
SCHEMBL28649908 0.74 ALDH1A1 (0.41)
SCHEMBL9090928 0.74 ALDH1A1 (0.41)
SCHEMBL16067494 0.73 CYP1A2 (0.42) CTSLCTSBCTSKNOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968211-B1 PHENYL ALKYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME BIO PHARM SOLUTIONS CO LTD (KR) 2021-05-12 EP disclosed
WO-2014142519-A1 PHENYL ALKYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME BIO-PHARM SOLUTIONS CO., LTD. (KR) 2014-09-18 WO disclosed
EP-2654791-A1 METHODS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS USING HIV PROTEASE INHIBITORS The Feinstein Institute for Medical Research (US) 2013-10-30 EP disclosed
WO-2013100566-A1 Phenyl alkyl carbamate derivative compound and pharmaceutical composition containing the same BIO-PHARM SOLUTIONS CO., LTD. (KR) 2013-07-04 WO disclosed
WO-2012088305-A1 METHODS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS USING HIV PROTEASE INHIBITORS THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2012-06-28 WO disclosed