SCHEMBL9325544

SCHEMBL9325544

CCOc1ccccc1OC(=O)NC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
ACHE P22303 1/20 0.60
L3MBTL1 Q9Y468 3/20 0.56
GLA P06280 1/20 0.56
GAA P10253 2/20 0.56
PGR P06401 1/20 0.56
PTGS1 P23219 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HCRTR1 O43613 2/20 0.50
ALOX15 P16050 1/20 0.49
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR7 P34969 1/20 0.47
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 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
SCHEMBL8341436 0.86 ALDH1A1 (0.57) ALDH1A1ACHEGAAPGRPTGS1
SCHEMBL11562164 0.85 ALDH1A1 (0.53) ALDH1A1ACHEL3MBTL1GLAGAA
1-Hydroxy-2-Ethoxybenzene SCHEMBL9751925 0.84 LIG1 (0.45) ALDH1A1ACHEL3MBTL1GLAGAA
SCHEMBL77514 0.82 ALDH1A1 (0.56) ALDH1A1ACHEL3MBTL1GLAGAA
SCHEMBL77881 0.81 ALDH1A1 (0.55) ALDH1A1ACHEL3MBTL1GLAGAA
SCHEMBL28183310 0.81 L3MBTL1 (0.51) ALDH1A1L3MBTL1GLAGAAMAPK1
SCHEMBL11556984 0.81 ALDH1A1 (0.55) ALDH1A1ACHEL3MBTL1GAAPGR
SCHEMBL77599 0.81 ALDH1A1 (0.64) ALDH1A1ACHEL3MBTL1GAAPGR
SCHEMBL2380676 0.81 L3MBTL1 (0.63) ALDH1A1L3MBTL1GLAGAAMAPK1
SCHEMBL8754763 0.80 ALDH1A1 (0.54) ALDH1A1ACHEGAAPGRPTGS1

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-5365691-A Methods and agents for combating cockroaches BAYER AKTIENGESELLSCHAFT (DE) 1994-11-22 US disclosed
US-4067990-A SOLUTION OF A PHENYL N-METHYL CARBAMATE AIRWICK INDUSTRIES, INC. (US) 1978-01-10 US disclosed