SCHEMBL10352006

SCHEMBL10352006

CCCCCOc1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
TSHR P16473 2/20 0.50
PDK2 Q15119 3/20 0.45
NR5A1 Q13285 1/20 0.44
LTA4H P09960 2/20 0.42
S1PR1 P21453 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TP53 P04637 2/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 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
SCHEMBL10352595 0.98 THRA (0.54) THRATHRBTSHRPDK2NR5A1
SCHEMBL10352177 0.98 THRA (0.54) THRATHRBTSHRPDK2NR5A1
SCHEMBL10352020 0.98 THRA (0.54) THRATHRBTSHRPDK2NR5A1
SCHEMBL10269779 0.97 THRA (0.48) THRATHRBTSHRPDK2LTA4H
SCHEMBL10352007 0.90 MAPT (0.48) THRATHRBTSHRPDK2LTA4H
SCHEMBL4230857 0.83 KMT2A (0.54) TSHRPDK2TP53NPC1LMNA
SCHEMBL10352175 0.83 NCF1 (0.50) THRATHRBNPC1LMNAMAPT
SCHEMBL10352711 0.83 FFAR4 (0.43) THRATHRBNPC1LMNAMAPT
SCHEMBL12068027 0.82 TSHR (0.46) TSHRNR5A1LTA4HNPC1LMNA
Hydrochloric Acid SCHEMBL185985 0.82 KMT2A (0.53) TSHRPDK2TP53NPC1LMNA

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