SCHEMBL9870809

SCHEMBL9870809

O=C(Cl)CCCCCCCOCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.58
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
FAAH O00519 1/20 0.46
TSHR P16473 1/20 0.45
TEAD3 Q99594 1/20 0.44
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL9872209 1.00 EPHX2 (0.58) EPHX2ALDH1A1L3MBTL1TDP1FAAH
SCHEMBL839310 1.00 EPHX2 (0.58) EPHX2ALDH1A1L3MBTL1TDP1FAAH
SCHEMBL2638931 1.00 EPHX2 (0.58) EPHX2ALDH1A1L3MBTL1TDP1FAAH
SCHEMBL8984483 1.00 EPHX2 (0.58) EPHX2ALDH1A1L3MBTL1TDP1FAAH
SCHEMBL2070766 0.98 EPHX2 (0.56) EPHX2ALDH1A1L3MBTL1TDP1FAAH
SCHEMBL3603037 0.93 ALDH1A1 (0.52) EPHX2ALDH1A1L3MBTL1TDP1FAAH
SCHEMBL29025335 0.88 EPHX2 (0.48) EPHX2ALDH1A1L3MBTL1TSHR
SCHEMBL25269510 0.86 EPHX2 (0.57) EPHX2L3MBTL1TDP1FAAHTSHR
SCHEMBL2871485 0.86 MAPT (0.59) EPHX2L3MBTL1TDP1FAAHTSHR
SCHEMBL1007119 0.86 MAPT (0.59) EPHX2L3MBTL1TDP1FAAHTSHR

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
US-5070139-A PLATELET ACTIVATING FACTOR ANTAGONISTS, HYPOTENSIVES J. URIACH & CIA. S.A. (ES) 1991-12-03 US disclosed
US-4940706-A 2,4-disubstituted 1,3-dioxolanes and pharmaceutical use J. URIACH & CIA, S.A. (ES) 1990-07-10 US disclosed
EP-0312041-A2 2,4-Disubstituted 1,3-dioxolanes J. URIACH & CIA. S.A. (ES) 1989-04-19 EP disclosed