SCHEMBL23623973

SCHEMBL23623973

CCOC(=O)c1ccc(C(F)(F)F)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.54
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 3/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
HTT P42858 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MMP13 P45452 4/20 0.43

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
SCHEMBL17649422 0.85 ESR1 (0.56) ESR1KDM4EALDH1A1HPGDRAB9A
SCHEMBL1160497 0.82 LMNA (0.55) ESR1KDM4EALDH1A1HPGDRAB9A
SCHEMBL6375741 0.80 L3MBTL1 (0.53) KDM4EALDH1A1LMNANPC1MAPT
SCHEMBL15287184 0.77 LMNA (0.49) ESR1KDM4EALDH1A1HPGDRAB9A
SCHEMBL402047 0.77 LMNA (0.51) ESR1KDM4EALDH1A1HPGDRAB9A
SCHEMBL1231647 0.75 LMNA (0.50) ESR1KDM4EALDH1A1HPGDRAB9A
SCHEMBL2508775 0.75 LMNA (0.50) ESR1KDM4EALDH1A1HPGDRAB9A
SCHEMBL1160309 0.75 HRH3 (0.53) ESR1KDM4EALDH1A1HPGDRAB9A
SCHEMBL358481 0.75 KDM4E (0.53) ESR1KDM4EALDH1A1HPGDRAB9A
SCHEMBL24113412 0.74 NOTUM (0.39) RAB9ASMN1; SMN2NPC1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210207274-A1 ALTERNATING CURRENT ELECTROLYSIS FOR USE IN ORGANIC SYNTHESIS WAYNE STATE UNIVERSITY (US) 2021-07-08 US disclosed