SCHEMBL8784332

SCHEMBL8784332

CCC(CC)(C(=O)O)c1ccccc1OCC#CCl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 6/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
GAA P10253 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
ALOX15 P16050 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL458660 0.76 CYP1A2 (0.45) KDM4EALDH1A1RXRARXRBRXRG
SCHEMBL8784327 0.74 NR1H2 (0.43) KDM4EEGLN1KMT2APPARGPPARA
SCHEMBL15021728 0.73 EGLN1 (0.44) RXRARXRBRXRGEGLN1PPARG
SCHEMBL8785285 0.71 MAPT (0.40) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL16673286 0.67 L3MBTL1 (0.46) KDM4EALDH1A1GAATDP1KMT2A
SCHEMBL446924 0.67 RXRA (0.53) KDM4EALDH1A1RXRARXRBRXRG
SCHEMBL27467077 0.66 KCNN4 (0.46) ALDH1A1GAA
SCHEMBL15709753 0.65 HTR7 (0.44) KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9373829 0.64 ALOX5 (0.41) KDM4EEGLN1
Nafcaproic Acid SCHEMBL2109457 0.64 ACP3 (0.45) KDM4EALDH1A1TDP1MEN1KMT2A

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
EP-0623122-B1 Benzopyran and related LTB4-antagonists. PFIZER (US) 1997-03-05 EP disclosed
US-5550152-A ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1996-08-27 US disclosed