SCHEMBL11264439

SCHEMBL11264439

CON=C(C)CN(C(=O)c1ccco1)c1c(C)cccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.44
LMNA P02545 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
OPRM1 P35372 4/20 0.43
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL11264436 1.00 S1PR4 (0.44) S1PR4LMNAALDH1A1MAPK1MEN1
SCHEMBL11147646 0.86 OPRM1 (0.45) S1PR4LMNAALDH1A1MAPK1MEN1
SCHEMBL11263111 0.86 OPRM1 (0.45) S1PR4LMNAALDH1A1MAPK1MEN1
SCHEMBL11153995 0.83 OPRM1 (0.48) S1PR4LMNAALDH1A1MAPK1MEN1
SCHEMBL11214373 0.77 LMNA (0.47) S1PR4LMNAALDH1A1MAPK1MEN1
SCHEMBL11250080 0.76 MEN1 (0.35) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL11150603 0.76 MEN1 (0.35) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL11834127 0.74 S1PR4 (0.53) S1PR4LMNAALDH1A1MAPK1MEN1
SCHEMBL11230355 0.74 OPRM1 (0.44) S1PR4LMNAALDH1A1MAPK1MEN1
SCHEMBL11145010 0.74 OPRM1 (0.44) S1PR4LMNAALDH1A1MAPK1MEN1

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
US-4337268-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-06-29 US disclosed
EP-0019858-A2 N-Oximinoalkyl anilides, process for their preparation and their use as fungicides BAYER AG (DE) 1980-12-10 EP disclosed