SCHEMBL5163372

SCHEMBL5163372

O=C(c1ccc2cccccc1-2)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.50
BCAT2 O15382 1/20 0.50
HDAC6 Q9UBN7 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
HNF4A P41235 1/20 0.43
HDAC1 Q13547 2/20 0.42
HTT P42858 1/20 0.42
TACR1 P25103 2/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
CYP2C8 P10632 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL307520 0.94 BCAT2 (0.57) CES1BCAT2HDAC6MEN1KMT2A
SCHEMBL16567335 0.81 AKR1C3 (0.47) CES1HDAC6HDAC1HTTTACR1
SCHEMBL18043680 0.81 PTGDR2 (0.47) CES1HDAC6SMN1; SMN2TSHRPDK2
SCHEMBL29035974 0.81 BCAT2 (0.55) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL28774592 0.78 BCAT2 (0.61) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL28361773 0.78 SLC6A2 (0.59) MEN1KMT2ATSHRSLC6A4SLC6A3
SCHEMBL1479704 0.77 HNF4A (0.61) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL27592177 0.77 BCAT2 (0.59) BCAT2HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL31517118 0.77 HNF4A (0.61) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
Trifluoroacetic Acid SCHEMBL16720000 0.77 HNF4A (0.56) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070128122-A1 Volatile material-containing compositions having an end of service indicator PROCTER & GAMBLE COMPANY, THE 2007-06-07 US disclosed
EP-1765421-A1 VOLATILE MATERIAL-CONTAINING COMPOSITIONS HAVING AN END OF SERVICE INDICATOR The Procter and Gamble Company (US) 2007-03-28 EP disclosed
WO-2006017304-A1 VOLATILE MATERIAL-CONTAINING COMPOSITIONS HAVING AN END OF SERVICE INDICATOR THE PROCTER & GAMBLE COMPANY (US) 2006-02-16 WO disclosed
EP-0588915-A4 AZULENIC RETINOID COMPOUNDS, COMPOSITIONS AND METHODS. UNIV HAWAII (US) 1995-05-31 EP disclosed
EP-0588915-A1 AZULENIC RETINOID COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITY OF HAWAII (US) 1994-03-30 EP disclosed
US-5235076-A Anticarcinogenic agents UNIVERSITY OF HAWAII (US) 1993-08-10 US disclosed
WO-1992021643-A1 AZULENIC RETINOID COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITY OF HAWAII (US) 1992-12-10 WO disclosed