SCHEMBL9509812

SCHEMBL9509812

CCCCCCCCOc1ccc(-c2ccc(O[C@@H](C)CC[C@H](C)OCCC)nn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HTT P42858 1/20 0.45
CYP2D6 P10635 6/20 0.40
CYP19A1 P11511 6/20 0.40
CYP2C9 P11712 5/20 0.40
CYP2C19 P33261 5/20 0.40
CYP1A2 P05177 3/20 0.40
RARB P10826 3/20 0.38
NR5A1 Q13285 1/20 0.38
CYP3A4 P08684 1/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MITF O75030 1/20 0.36
PKM P14618 1/20 0.36
SLC2A1 P11166 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
SCHEMBL9839323 0.91 L3MBTL1 (0.48) KDM4EL3MBTL1ALDH1A1HPGDHTT
SCHEMBL9840404 0.91 L3MBTL1 (0.48) KDM4EL3MBTL1ALDH1A1HPGDHTT
SCHEMBL9512654 0.84 L3MBTL1 (0.44) KDM4EL3MBTL1ALDH1A1HPGDHTT
SCHEMBL9512008 0.83 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1HPGDHTT
SCHEMBL9514935 0.83 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1HPGDHTT
SCHEMBL9515878 0.83 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1HPGDHTT
SCHEMBL9514505 0.83 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1HPGDHTT
SCHEMBL9514957 0.83 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1HPGDHTT
SCHEMBL9509914 0.82 RARB (0.49) KDM4EL3MBTL1ALDH1A1HPGDHTT
SCHEMBL9237686 0.81 L3MBTL1 (0.43) KDM4EL3MBTL1ALDH1A1HPGDHTT

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-0388960-B1 OPTICALLY ACTIVE COMPOUNDS AND THEIR PREPARATION AND USE HITACHI, LTD. (JP) 1993-10-06 EP disclosed
US-5152919-A Stability, chemical resistance, high speed response, large spo ntaneous polarization, molecular orientation and wide temperat ure range HITACHI, LTD. (JP) 1992-10-06 US disclosed
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 EP disclosed