SCHEMBL9770764

SCHEMBL9770764

O=C(c1ccc(-c2ccccc2)cc1)C(F)C(=O)C(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 3/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PTPN1 P18031 1/20 0.43
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGDS O60760 1/20 0.42
CDC25B P30305 1/20 0.42
ATM Q13315 1/20 0.42
FFAR1 O14842 1/20 0.42
CYP1A2 P05177 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL523477 0.88 TDP1 (0.48) SMN1; SMN2MAPTLMNAALDH1A1RAB9A
SCHEMBL9565954 0.86 TDP1 (0.47) SMN1; SMN2MAPTLMNAALDH1A1HTT
SCHEMBL711850 0.79 CES2 (0.48) SMN1; SMN2MAPTLMNAALDH1A1HTT
SCHEMBL2699118 0.77 CES2 (0.46) MAPTLMNARAB9ANPC1GSK3B
SCHEMBL9770790 0.77 ALDH1A1 (0.46) SMN1; SMN2LMNAALDH1A1HTTRAB9A
SCHEMBL1115093 0.77 CES2 (0.46) SMN1; SMN2MAPTLMNAALDH1A1RAB9A
SCHEMBL8208460 0.77 SMN1; SMN2 (0.50) SMN1; SMN2MAPTLMNAALDH1A1HTT
SCHEMBL1548851 0.75 TDP1 (0.56) SMN1; SMN2MAPTLMNAALDH1A1RAB9A
SCHEMBL713841 0.75 CES2 (0.53) SMN1; SMN2MAPTALDH1A1RAB9ANPC1
SCHEMBL1164038 0.74 SMN1; SMN2 (0.56) SMN1; SMN2MAPTLMNAALDH1A1HTT

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-0289390-B1 PROCESS FOR ELIMINATING RADIOACTIVITY FROM EFFLUENTS BY LIQUID-LIQUID EXTRACTION RHONE-POULENC CHIMIE (FR) 1991-10-16 EP disclosed
US-5006254-A Extraction with halogenated beta-diketone RHONE-POULENC CHIMIE (FR) 1991-04-09 US disclosed