SCHEMBL11606554

SCHEMBL11606554

O=C(CN1CCCC1)N1Cc2sccc2C(O)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
USP2 O75604 2/20 0.38
ALOX15 P16050 1/20 0.37
SIGMAR1 Q99720 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GFER P55789 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
RAD52 P43351 1/20 0.36
OPRD1 P41143 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL13194702 0.81 NPC1 (0.35) ALDH1A1MAPTALOX15SMN1; SMN2KDM4E
SCHEMBL15490061 0.77 OPRM1 (0.38) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4751291 0.77 HHAT (0.38) MAPTALOX15SMN1; SMN2TSHR
SCHEMBL19722754 0.76 NPC1 (0.38) ALOX15TSHR
SCHEMBL14970374 0.76 HHAT (0.43) LMNA
SCHEMBL30309375 0.69 PDE4B (0.40) MAPTKDM4E
SCHEMBL4751946 0.69 HHAT (0.45) KMT2A
SCHEMBL3307502 0.69 HHAT (0.45) KMT2A
SCHEMBL3307496 0.69 HHAT (0.45) KMT2A
SCHEMBL11604417 0.68 LHCGR (0.48) ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4076819-A ANTIINFLAMMATORY AGENTS, INHIBITOR OF BLOOD PLATELET AGGREGATION PARCOR (FR) 1978-02-28 US disclosed