SCHEMBL11230355

SCHEMBL11230355

C=CCN(C(=O)c1ccco1)c1c(C)cccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ATM Q13315 2/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
S1PR4 O95977 1/20 0.42
MAPK1 P28482 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL11214373 0.82 LMNA (0.47) OPRM1LMNAALDH1A1MEN1KMT2A
SCHEMBL11153995 0.81 OPRM1 (0.48) OPRM1LMNAALDH1A1MEN1KMT2A
SCHEMBL10966168 0.79 S1PR4 (0.45) OPRM1LMNAALDH1A1MEN1KMT2A
SCHEMBL11145010 0.78 OPRM1 (0.44) OPRM1LMNAALDH1A1MEN1KMT2A
SCHEMBL11151195 0.77 OPRM1 (0.43) OPRM1LMNAALDH1A1MEN1KMT2A
SCHEMBL11499203 0.77 OPRM1 (0.41) OPRM1LMNAALDH1A1MEN1KMT2A
SCHEMBL11226941 0.76 OPRM1 (0.43) OPRM1LMNAALDH1A1MEN1KMT2A
SCHEMBL11229764 0.76 OPRM1 (0.43) OPRM1LMNAALDH1A1MEN1KMT2A
SCHEMBL11263111 0.76 OPRM1 (0.45) OPRM1LMNAALDH1A1MEN1KMT2A
SCHEMBL11147646 0.76 OPRM1 (0.45) OPRM1LMNAALDH1A1MEN1KMT2A

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
EP-0005591-B1 FUNGICIDAL ACYLANILIDE COMPOUNDS, THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-06-23 EP disclosed
US-4325966-A ALKENYL- AND ALKYNYLACETANALIDE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-20 US disclosed
EP-0005591-A1 Fungicidal acylanilide compounds, their preparation, compositions containing them and their use IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-11-28 EP disclosed