SCHEMBL10352191

SCHEMBL10352191

CCCCC(CC)COc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
ATM Q13315 2/20 0.49
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
CYP3A4 P08684 3/20 0.36
CA2 P00918 1/20 0.36
PPARD Q03181 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL15881917 0.81 ALDH1A1 (0.44) L3MBTL1MAPTLMNAATMALDH1A1
SCHEMBL14994244 0.81 ALDH1A1 (0.42) L3MBTL1MAPTLMNAATMALDH1A1
SCHEMBL10352025 0.81 L3MBTL1 (0.62) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL15244179 0.80 CYP3A4 (0.45) L3MBTL1LMNAATMALDH1A1MAPK1
SCHEMBL10352013 0.80 L3MBTL1 (0.55) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL10352659 0.79 L3MBTL1 (0.57) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL10352503 0.78 L3MBTL1 (0.56) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL10352224 0.78 L3MBTL1 (0.56) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL10352663 0.78 L3MBTL1 (0.56) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL10352017 0.78 L3MBTL1 (0.55) L3MBTL1MAPTLMNAATMRAB9A

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
EP-0300390-B1 TRIFLUOROMETHYL-ALKOXY-ANILIN, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE ICE-COLOUR TECHNIQUE HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP disclosed
EP-0300390-A1 Trifluoromethyl-alkoxy-anilin, process for their preparation and their use in the ice-colour technique HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-25 EP disclosed