SCHEMBL9580340

SCHEMBL9580340

COc1ccc2cc(CC(=O)N3CCOC3=O)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.62
NAAA Q02083 6/20 0.56
PTGS1 P23219 1/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
NQO2 P16083 1/20 0.46
MAPK10 P53779 1/20 0.45

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
SCHEMBL20644860 0.85 NAAA (0.68) FAAHNAAA
SCHEMBL11276769 0.79 SMN1; SMN2 (0.66) PTGS1AKR1C3AKR1C2SMN1; SMN2RAB9A
SCHEMBL22423314 0.77 FAAH (0.55) FAAHNAAAHSD17B10SMN1; SMN2MAPK10
SCHEMBL19612567 0.76 FAAH (1.00) FAAHNAAA
SCHEMBL9580282 0.75 POLB (0.59) PTGS1AKR1C3AKR1C2MAPTLMNA
SCHEMBL21095220 0.74 PTGS1 (0.58) FAAHPTGS1AKR1C3AKR1C2HSD17B10
SCHEMBL19612661 0.73 FAAH (1.00) FAAHNAAAKDM4E
SCHEMBL19612588 0.73 FAAH (1.00) FAAHNAAA
SCHEMBL20644859 0.73 KDM4E (0.41) FAAHNAAAPTGS1AKR1C3AKR1C2
SCHEMBL5967331 0.73 PTGS1 (0.48) FAAHNAAAPTGS1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5179208-A Analgesics KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1993-01-12 US claimed
US-5145993-A Process for preparing D-2-(6-methoxy-2-naphthyl)-propionic acid and intermediate thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1992-09-08 US claimed
US-5179208-A Analgesics KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1993-01-12 US disclosed
US-5145993-A Process for preparing D-2-(6-methoxy-2-naphthyl)-propionic acid and intermediate thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1992-09-08 US disclosed