SCHEMBL10501591

SCHEMBL10501591

COC(=O)C(C=O)Cc1ccnc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOX P28300 2/20 0.48
LOXL2 Q9Y4K0 2/20 0.48
ACACB O00763 2/20 0.42
FFAR1 O14842 1/20 0.38
GSK3B P49841 3/20 0.36
CDK2 P24941 2/20 0.36
CNR1 P21554 1/20 0.36
NR3C2 P08235 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
CTSA P10619 1/20 0.35
GSK3A P49840 2/20 0.35
SLC13A5 Q86YT5 1/20 0.35
GRM2 Q14416 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
ENPP2 Q13822 1/20 0.35

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
SCHEMBL10544347 0.90 LOX (0.46) LOXLOXL2ACACBFFAR1GSK3B
SCHEMBL18082590 0.82 LOX (0.51) LOXLOXL2ACACBFFAR1GSK3B
SCHEMBL16119318 0.81 LOX (0.54) LOXLOXL2ACACBFFAR1CNR1
SCHEMBL16228572 0.81 LOX (0.54) LOXLOXL2ACACBFFAR1CNR1
SCHEMBL30921159 0.80 ALDH1A1 (0.41) ACACB
SCHEMBL23792323 0.78 LOXL2 (0.55) LOXLOXL2ACACBFFAR1GSK3B
SCHEMBL9108487 0.74 MIF (0.33) ACACB
SCHEMBL25355781 0.74 LOX (0.49) LOXLOXL2ACACBFFAR1CNR1
SCHEMBL25355776 0.74 LOX (0.49) LOXLOXL2ACACBFFAR1CNR1
SCHEMBL25357821 0.73 LOX (0.55) LOXLOXL2ACACBFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0163506-B1 PROCESS FOR THE PREPARATION OF A PYRIDIL-PROPANOIC ACID SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-11-02 EP disclosed
EP-0163506-A2 Process for the preparation of a pyridil-propanoic acid SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-12-04 EP disclosed