SCHEMBL11601433

SCHEMBL11601433

O=C(CCCCOCc1ccccc1)CCC1SCCS1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
TEAD3 Q99594 2/20 0.39
FAAH O00519 1/20 0.39
GBA1 P04062 2/20 0.38
UGCG Q16739 2/20 0.38
GBA2 Q9HCG7 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NAAA Q02083 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
SPHK1 Q9NYA1 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
SCHEMBL10081325 0.82 EPHX2 (0.57) EPHX2TEAD3FAAHL3MBTL1HDAC1
SCHEMBL25269510 0.82 EPHX2 (0.57) EPHX2TEAD3FAAHL3MBTL1HDAC1
SCHEMBL19032713 0.82 EPHX2 (0.57) EPHX2TEAD3FAAHL3MBTL1HDAC1
SCHEMBL11047003 0.79 FAAH (0.44) FAAH
SCHEMBL25210921 0.78 MAPT (0.54) EPHX2FAAHL3MBTL1HDAC3HDAC1
SCHEMBL25213662 0.78 MAPT (0.54) EPHX2FAAHL3MBTL1HDAC3HDAC1
SCHEMBL25212789 0.78 MAPT (0.54) EPHX2FAAHL3MBTL1HDAC3HDAC1
SCHEMBL8984536 0.78 MAPT (0.54) EPHX2FAAHL3MBTL1HDAC3HDAC1
SCHEMBL25246359 0.76 EPHX2 (0.52) EPHX2TEAD3FAAHGBA1UGCG
SCHEMBL25215220 0.76 EPHX2 (0.52) EPHX2TEAD3FAAHGBA1UGCG

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-4098815-A BRONCHODILATOR AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1978-07-04 US disclosed