SCHEMBL15322317

SCHEMBL15322317

C=CCOC(=O)N1CCCC1O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CHRM1 P11229 1/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
DPP4 P27487 3/20 0.32
ERN1 O75460 1/20 0.32
CASP1 P29466 1/20 0.32
HCRTR2 O43614 1/20 0.31

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
SCHEMBL14458907 0.95 ALDH1A1 (0.38) RAB9ASIGMAR1ALDH1A1GAACHRM1
SCHEMBL8864772 0.83 RAB9A (0.37) RAB9ASIGMAR1ALDH1A1GAACHRM1
SCHEMBL15275741 0.83 RAB9A (0.40) RAB9ASIGMAR1ALDH1A1GAACHRM1
SCHEMBL8864765 0.83 RAB9A (0.37) RAB9ASIGMAR1ALDH1A1GAACHRM1
SCHEMBL8865091 0.82 POLB (0.54) RAB9ASIGMAR1ALDH1A1GAACHRM1
SCHEMBL8865107 0.82 POLB (0.54) RAB9ASIGMAR1ALDH1A1GAACHRM1
SCHEMBL8667874 0.82 RAB9A (0.60) RAB9AALDH1A1LMNA
SCHEMBL8667871 0.82 RAB9A (0.60) RAB9AALDH1A1LMNA
SCHEMBL10683300 0.82 RAB9A (0.60) RAB9AALDH1A1LMNA
SCHEMBL28549824 0.81 RAB9A (0.38) RAB9ASIGMAR1ALDH1A1GAACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778330-A Pyridone-containing polycyclic derivative inhibitor, and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-05-11 CN disclosed
WO-2013149996-A9 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2014-02-20 WO disclosed
WO-2013149996-A1 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2013-10-10 WO disclosed