SCHEMBL8496249

SCHEMBL8496249

COC(=O)C(=C1CCCNC1=O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 4/20 0.41
MAPT P10636 4/20 0.40
GFER P55789 1/20 0.40
NPC1 O15118 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK13 O15264 1/20 0.35
ALOX5 P09917 1/20 0.35
GCGR P47871 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL7549282 0.66 RAB9A (0.42) ALDH1A1GAAL3MBTL1RAB9AMAPT
SCHEMBL7774549 0.65 RAB9A (0.42) ALDH1A1RAB9ANPC1KMT2AF2
SCHEMBL7549342 0.65 CA1 (0.42) ALDH1A1RAB9AMAPTNPC1KDM4E
SCHEMBL836180 0.64 CES2 (0.62) ALDH1A1GAARAB9AMAPTNPC1
SCHEMBL15384064 0.64 SMN1; SMN2 (0.50) ALDH1A1L3MBTL1RAB9AMAPTNPC1
SCHEMBL7541114 0.64 SMN1; SMN2 (0.50) ALDH1A1L3MBTL1RAB9AMAPTNPC1
SCHEMBL28831031 0.62 TSHR (0.33) RAB9A
SCHEMBL5755511 0.62 RAB9A (0.41) ALDH1A1GAAL3MBTL1RAB9AMAPT
SCHEMBL2576355 0.62 RAB9A (0.47) ALDH1A1GAARAB9AMAPTNPC1
SCHEMBL15101252 0.60 SMN1; SMN2 (0.46) ALDH1A1GAARAB9AMAPTNPC1

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
US-5891852-A Serine protease inhibitors-cycloheptane derivatives CORTECH, INC. (US) 1999-04-06 US disclosed
US-5869455-A SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE PEPTOIDS WHICH ARE USEFUL AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE CORTECH, INC. (US) 1999-02-09 US disclosed
US-5861380-A OXADIAZOLE, THIADIAZOLE AND TRIAZOLE PEPTOIDS AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE; ADULT RESPIRATORY DISTRESS SYNDROME; ANTIARTHRITIC,-INFLAMMATORY,-ISCHEMIC,-TUMOR AND -CARCINOGENIC AGENTS AND OTHER HNE-MEDIATED CONDITIONS CORTECH, INC. (US) 1999-01-19 US disclosed
US-5807829-A RESPIRATORY SYSTEM DISORDERS; SESPIC SHOCK; ORGAN FAILURE CORTECH, INC. (US) 1998-09-15 US disclosed
US-5801148-A Serine protease inhibitors-proline analogs CORTECH, INC. (US) 1998-09-01 US disclosed