SCHEMBL8655009

SCHEMBL8655009

CC(C)N(C(=O)C(O)C(=O)O)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
MLYCD O95822 2/20 0.37
NR3C2 P08235 1/20 0.37
NPC1 O15118 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MCL1 Q07820 1/20 0.35
S100A4 P26447 1/20 0.35

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
SCHEMBL24833896 0.82 KMT2A (0.46) KMT2AALDH1A1TP53LMNASMN1; SMN2
SCHEMBL3088547 0.82 KMT2A (0.38) KMT2AALDH1A1TP53LMNASMN1; SMN2
SCHEMBL3092037 0.80 ALDH1A1 (0.40) KMT2AALDH1A1TP53LMNASMN1; SMN2
SCHEMBL3096592 0.78 MCL1 (0.40) KMT2AALDH1A1TP53LMNASMN1; SMN2
SCHEMBL3100516 0.77 CTSL (0.39) KMT2AALDH1A1TP53LMNASMN1; SMN2
SCHEMBL13915059 0.77 S100A4 (0.45) KMT2AALDH1A1TP53LMNASMN1; SMN2
SCHEMBL3079169 0.76 ALDH1A1 (0.40) KMT2AALDH1A1TP53LMNASMN1; SMN2
SCHEMBL6762131 0.75 ALDH1A1 (0.43) KMT2AALDH1A1TP53LMNASMN1; SMN2
SCHEMBL3093425 0.75 CTSL (0.41) KMT2AALDH1A1TP53LMNASMN1; SMN2
SCHEMBL3469906 0.75 HTT (0.37) KMT2AALDH1A1TP53LMNASMN1; SMN2

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
US-5808152-A Synthesis of N-(4-fluorophenyl)-2-hydroxy-N-(1-methylethyl)acetamide using sodium formate BAYER CORPORATION (US) 1998-09-15 US claimed
US-5808152-A Synthesis of N-(4-fluorophenyl)-2-hydroxy-N-(1-methylethyl)acetamide using sodium formate BAYER CORPORATION (US) 1998-09-15 US disclosed
US-5808152-A Synthesis of N-(4-fluorophenyl)-2-hydroxy-N-(1-methylethyl)acetamide using sodium formate BAYER CORPORATION (US) 1998-09-15 US disclosed