SCHEMBL8483350

SCHEMBL8483350

CC(C)(C(=O)O)c1ccc(C(=O)CCC=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
USP5 P45974 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NR4A2 P43354 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
FFAR1 O14842 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 3/20 0.37
RECQL P46063 2/20 0.37
HPGD P15428 1/20 0.37
MMP1 P03956 1/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3628597 0.85 RAB9A (0.54) KMT2ARAB9ANPC1MAPTL3MBTL1
SCHEMBL7038376 0.81 RORC (0.40) KMT2ARAB9ANPC1MAPTLMNA
SCHEMBL11986854 0.79 HSD17B3 (0.59) RAB9ANPC1MAPTL3MBTL1SMN1; SMN2
SCHEMBL2861170 0.78 MMP1 (0.58) MAPTNR4A2ALDH1A1MMP1SRD5A2
SCHEMBL3680703 0.77 NPC1 (0.42) RAB9ANPC1MAPTL3MBTL1LMNA
SCHEMBL1502278 0.77 NPC1 (0.42) KMT2ARAB9ANPC1MAPTL3MBTL1
SCHEMBL1502488 0.77 NPC1 (0.42) KMT2ARAB9ANPC1MAPTL3MBTL1
SCHEMBL19924831 0.76 ALDH1A1 (0.53) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2118360 0.75 KMT2A (0.66) KMT2ARAB9ANPC1MAPTL3MBTL1
SCHEMBL276676 0.75 NR4A2 (0.65) KMT2ARAB9ANPC1MAPTL3MBTL1

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-5925761-A Synthesis of terfenadine and derivatives SEPRACOR INC. (US) 1999-07-20 US disclosed