SCHEMBL4236408

SCHEMBL4236408

CCOC(=O)C(C)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
RECQL P46063 1/20 0.44
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
POLB P06746 2/20 0.43
PKM P14618 2/20 0.43
PTPN1 P18031 1/20 0.43
PTPN7 P35236 1/20 0.43
BLM P54132 1/20 0.43
ESR2 Q92731 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL1532507 0.84 ALDH1A1 (0.47) L3MBTL1SMN1; SMN2TSHRHPGDALOX5
SCHEMBL9554861 0.84 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2TSHRHPGDGLA
SCHEMBL538908 0.83 TSHR (0.46) L3MBTL1SMN1; SMN2TSHRLMNAHPGD
SCHEMBL985943 0.82 KMT2A (0.56) L3MBTL1SMN1; SMN2TSHRHPGDGLA
SCHEMBL5535025 0.81 ALDH1A1 (0.48) L3MBTL1HPGDALOX5ALDH1A1KMT2A
SCHEMBL15261579 0.81 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2HPGDGLARECQL
SCHEMBL4233008 0.81 ALDH1A1 (0.43) L3MBTL1TSHRLMNAALOX5ALDH1A1
SCHEMBL17017513 0.81 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2HPGDGLARECQL
SCHEMBL11025994 0.81 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2TSHRHPGDGLA
SCHEMBL11028630 0.81 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2TSHRHPGDGLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
CN-103880790-B A kind of synthetic method of furan coupling compound 西北大学 2016-08-24 CN disclosed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO disclosed