SCHEMBL7744975

SCHEMBL7744975

CC(=CC(=C(C=CC#N)C=Cc1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1B1 Q16678 4/20 0.42
MAOB P27338 2/20 0.42
PLIN1 O60240 2/20 0.42
RECQL P46063 2/20 0.42
PLIN5 Q00G26 2/20 0.42
ABHD5 Q8WTS1 2/20 0.42
BCHE P06276 1/20 0.42
TNFRSF1A P19438 1/20 0.42
ACHE P22303 1/20 0.42
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 3/20 0.40
AKR1C3 P42330 1/20 0.40
HDAC3 O15379 3/20 0.38

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
SCHEMBL15255168 0.81 GLA (0.44) MAPTLMNAALDH1A1GLATDP1
SCHEMBL1317029 0.79 TDP1 (0.43) MAPTLMNAALDH1A1L3MBTL1GLA
SCHEMBL3294525 0.76 TDP1 (0.51) MAPTLMNAALDH1A1GLATDP1
SCHEMBL364235 0.74 AKR1C3 (0.53) MAPTLMNAALDH1A1GLATDP1
SCHEMBL4949600 0.74 GLA (0.49) MAPTLMNAALDH1A1L3MBTL1GLA
SCHEMBL461687 0.74 MAPT (0.37) MAPTLMNAALDH1A1L3MBTL1GLA
SCHEMBL8386806 0.72 GLA (0.50) MAPTLMNAALDH1A1L3MBTL1GLA
SCHEMBL5676356 0.72 GLA (0.42) MAPTLMNAALDH1A1L3MBTL1GLA
SCHEMBL2334120 0.72 MAOB (0.40) MAPTLMNAALDH1A1L3MBTL1GLA
SCHEMBL8730748 0.72 GLA (0.42) MAPTLMNAALDH1A1L3MBTL1GLA

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
WO-2001021303-A1 AN IMPROVED METHOD AND APPARATUS FOR DEVOLATILIZATION THE DOW CHEMICAL COMPANY (US) 2001-03-29 WO disclosed