SCHEMBL13639145

SCHEMBL13639145

O=C(O)c1ccc(CCCN2CCCC2=O)o1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 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
SCHEMBL13639218 0.81 RAB9A (0.49) ALDH1A1TSHRSMN1; SMN2RAB9AKDM4E
SCHEMBL25062295 0.78 GAA (0.52) SMN1; SMN2HTTKDM4ETDP1KMT2A
SCHEMBL14199640 0.75 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2HTTPOLB
SCHEMBL8882276 0.74 L3MBTL1 (0.57) TSHRSMN1; SMN2RAB9AKDM4EKMT2A
SCHEMBL25062307 0.74 HTT (0.69) ALDH1A1TSHRSMN1; SMN2HTTKDM4E
SCHEMBL14200162 0.74 L3MBTL1 (0.47) TSHRRAB9APOLB
SCHEMBL12299235 0.73 PTGER2 (0.41) HTTTDP1POLBKMT2A
SCHEMBL12330151 0.72 PTGER2 (0.45)
SCHEMBL10504904 0.72 KMT2A (0.48) ALDH1A1TSHRRAB9AHTTKMT2A
SCHEMBL13946711 0.72 RAB9A (0.55) ALDH1A1RAB9AKMT2ANPC1

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-1481976-B1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2012-11-07 EP disclosed
EP-1603874-B1 G-LACTAM DERIVATIVES AS PROSTAGLANDIN AGONISTS SERONO LAB (CH) 2008-05-07 EP disclosed