SCHEMBL28987103

SCHEMBL28987103

O=C(CCCCCCCC(=O)Oc1ccc(F)cc1)Oc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
ALDH1A1 P00352 2/20 0.59
HSD17B10 Q99714 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
SLC22A2 O15244 1/20 0.43
TMPRSS2 O15393 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
F12 P00748 1/20 0.43
PLAU P00749 1/20 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
SCHEMBL1970906 1.00 KMT2A (0.59) KMT2AALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL7736863 0.94 KMT2A (0.60) KMT2AALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL17443560 0.93 KMT2A (0.54) KMT2AALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL31346798 0.91 KMT2A (0.59) KMT2AALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL29279079 0.90 KMT2A (0.63) KMT2AALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL27567778 0.89 KMT2A (0.57) KMT2AALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL23027523 0.87 KMT2A (0.55) KMT2AALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL4312695 0.87 HTR7 (0.56) KMT2AALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL14276944 0.85 KMT2A (0.54) KMT2AALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL27929725 0.85 KMT2A (0.70) KMT2AALDH1A1HSD17B10SMN1; SMN2LMNA

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
CN-115838330-B Method for synthesizing dicarboxylic acid compound based on non-activated olefin remote carboxyl 四川大学 2024-04-30 CN disclosed
CN-115838330-A Method for synthesizing dicarboxylic acid compounds based on remote carboxylation of non-activated olefin 四川大学 2023-03-24 CN disclosed