SCHEMBL11118301

SCHEMBL11118301

CCC(C)(OCc1ccc(Br)cc1)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 2/20 0.44
MAOB P27338 1/20 0.43
SMPD1 P17405 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL2218979 0.88 KMT2A (0.44) POLBCTDSP1KMT2AALDH1A1MAOB
SCHEMBL11123940 0.85 OPRK1 (0.49) POLBCTDSP1KMT2AALDH1A1MAOB
SCHEMBL11121410 0.84 RXRA (0.46) POLBCTDSP1KMT2AALDH1A1MAOB
SCHEMBL13994548 0.83 KMT2A (0.50) POLBCTDSP1KMT2AALDH1A1MAOB
SCHEMBL11119281 0.80 ALDH1A1 (0.57) POLBALDH1A1MAOBMAPTL3MBTL1
SCHEMBL2218387 0.80 KMT2A (0.39) POLBCTDSP1KMT2AALDH1A1MAOB
SCHEMBL2218889 0.79 KMT2A (0.41) POLBCTDSP1KMT2AALDH1A1MAOB
SCHEMBL2218188 0.77 KMT2A (0.40) POLBCTDSP1KMT2AALDH1A1MAOB
SCHEMBL1887763 0.74 KMT2A (0.44) POLBCTDSP1KMT2AALDH1A1KDM4E
SCHEMBL12419178 0.73 KDM4E (0.47) POLBCTDSP1KMT2AALDH1A1MAOB

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-4461835-A RESOLVING ARYLOXY-A-ALKYL ESTERS TO MAKE VITAMIN E INTERMEDIATES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1984-07-24 US disclosed