SCHEMBL9535856

SCHEMBL9535856

COc1ccc(C(C)N(C)CCCO)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TNF P01375 1/20 0.40
FDPS P14324 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7430435 0.79 PPARG (0.51) PPARGPPARDPPARACYP1A2L3MBTL1
SCHEMBL9263967 0.78 LTB4R (0.38) PPARGPPARDPPARACYP1A2FDPS
SCHEMBL9662716 0.77 MAPT (0.49) KDM4EL3MBTL1KMT2ANPSR1ALDH1A1
SCHEMBL9536720 0.77 BCHE (0.38) KMT2AALDH1A1ACHEAOC3
SCHEMBL27345231 0.76 CA1 (0.45) PPARGPPARDPPARAPOLBTSHR
Hydrochloric Acid SCHEMBL9661830 0.76 MAPT (0.48) KDM4EL3MBTL1KMT2ANPSR1ALDH1A1
SCHEMBL10627153 0.74 CYP3A4 (0.41) TSHRCYP1A2L3MBTL1KMT2ACYP2C9
SCHEMBL28219379 0.73 BCHE (0.48) KDM4EPOLBCYP1A2L3MBTL1CYP2C9
SCHEMBL14160215 0.73 ALDH1A1 (0.38) PPARGPPARDPPARAPOLBL3MBTL1
SCHEMBL9436648 0.73 ABCB1 (0.66) TSHRCYP1A2L3MBTL1KMT2ACYP2C9

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
EP-0382629-B1 Aminoalkoxyphenyl derivatives, process for their preparation and compositions containing them SANOFI ELF (FR) 1993-11-24 EP claimed