SCHEMBL8060272

SCHEMBL8060272

CC(CO)NC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ CA2 P00918 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC4 P56524 3/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ MLYCD O95822 1/20 0.35
▸ CA3 P07451 2/20 0.33
▸ CA5A P35218 2/20 0.33
▸ CA5B Q9Y2D0 2/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL31496034 1.00 ESR1 (0.44) ESR1KCNH2CA2ALDH1A1POLB
SCHEMBL8060275 1.00 ESR1 (0.44) ESR1KCNH2CA2ALDH1A1POLB
SCHEMBL9344459 0.82 SMN1; SMN2 (0.47) ESR1KCNH2CA2ALDH1A1POLB
SCHEMBL25134681 0.80 MLYCD (0.53) ESR1KCNH2CA2ALDH1A1POLB
SCHEMBL28012919 0.80 ESR1 (0.43) ESR1KCNH2CA2ALDH1A1POLB
SCHEMBL12204111 0.80 MLYCD (0.53) ESR1KCNH2CA2ALDH1A1POLB
SCHEMBL566464 0.79 MLYCD (0.41) ESR1KCNH2CA2ALDH1A1POLB
SCHEMBL566465 0.79 MLYCD (0.41) ESR1KCNH2CA2ALDH1A1POLB
SCHEMBL4348828 0.79 KCNK3 (0.34) ALDH1A1POLBHDAC4HDAC6KCNK3
SCHEMBL14707759 0.79 ASAH1 (0.38) ALDH1A1POLBKCNK3THRBCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1002121-A1 PROCESS FOR THE PRODUCTION OF L-ALAMINOL AND GAMMA-GLUTAMYL ISOPROPYLAMIDE AND A MICROORGANISM STRAIN FO THE GENUS PSENDOMONAS LONZA A.G. (CH) 2000-05-24 — — EP disclosed
WO-1999007199-A2 METHOD FOR PRODUCING L-ALANINOL AND GAMMA-GLUTAMYL ISOPROPYLAMIDE AND A MICROBIAL STRAIN OF THE PSEUDOMONAS LONZA AG (CH) 1999-02-18 — — WO disclosed
US-4758623-A Trifluoroacetylation of unhindered primary and secondary amines and polymer-bound trifluoroacetylation reagents SCHERING CORPORATION (US) 1988-07-19 — — US disclosed
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