SCHEMBL10352020

SCHEMBL10352020

CCCCCCCOc1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54
TSHR P16473 2/20 0.53
NR5A1 Q13285 1/20 0.46
PDK2 Q15119 2/20 0.46
S1PR1 P21453 1/20 0.43
TP53 P04637 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LTA4H P09960 1/20 0.41
HTR1A P08908 5/20 0.41
HTR1D P28221 5/20 0.41
HTR1B P28222 5/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL10352177 1.00 THRA (0.54) THRATHRBTSHRNR5A1PDK2
SCHEMBL10352595 1.00 THRA (0.54) THRATHRBTSHRNR5A1PDK2
SCHEMBL10352006 0.98 THRA (0.52) THRATHRBTSHRNR5A1PDK2
SCHEMBL10269779 0.95 THRA (0.48) THRATHRBTSHRPDK2MAPT
SCHEMBL10352007 0.89 MAPT (0.48) THRATHRBTSHRPDK2TP53
SCHEMBL31540270 0.83 THRA (0.55) THRATHRBTSHRNR5A1PDK2
SCHEMBL4230857 0.82 KMT2A (0.54) TSHRPDK2TP53MAPTNPC1
SCHEMBL25797626 0.82 THRA (0.57) THRATHRBTSHRNR5A1PDK2
SCHEMBL10352175 0.82 NCF1 (0.50) THRATHRBMAPTNPC1LMNA
SCHEMBL10352711 0.81 FFAR4 (0.43) THRATHRBMAPTNPC1LMNA

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