SCHEMBL9213009

SCHEMBL9213009

CCCCCCCCCC1(NCCC)CCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.33
CETP P11597 2/20 0.32
TSHR P16473 2/20 0.32
THRB P10828 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
PPARA Q07869 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GBA1 P04062 3/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 1/20 0.30

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
SCHEMBL9204846 0.98 ALDH1A1 (0.32) EPHX1CETPTSHRALDH1A1
SCHEMBL11260424 0.94 CETP (0.37) EPHX1CETPTSHRTHRBSIRT2
SCHEMBL9210570 0.90 TSHR (0.32) EPHX1CETPTSHRALDH1A1
SCHEMBL9843071 0.88 EPHX1 (0.38) EPHX1TSHRTHRBALDH1A1GBA1
SCHEMBL9208824 0.86 EPHX1 (0.37) EPHX1CETPTSHRALDH1A1GBA1
SCHEMBL9206447 0.86 TSHR (0.33) EPHX1CETPTSHRTHRBSIRT2
SCHEMBL9206540 0.86 TSHR (0.33) EPHX1CETPTSHRTHRBSIRT2
SCHEMBL9205259 0.86 TSHR (0.33) EPHX1CETPTSHRTHRBSIRT2
SCHEMBL9214532 0.84 EPHX1 (0.38) EPHX1TSHRTHRBALDH1A1GBA1
SCHEMBL28204470 0.82 EPHX1 (0.37) EPHX1CETPTSHRALDH1A1GBA1

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
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed