SCHEMBL9840404

SCHEMBL9840404

CCCCCCCCCCOc1ccc(-c2ccc(OC(C)CCCCCC)nn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 1/20 0.48
CYP2D6 P10635 6/20 0.43
CYP19A1 P11511 6/20 0.43
CYP2C9 P11712 5/20 0.43
CYP2C19 P33261 5/20 0.43
CYP1A2 P05177 3/20 0.43
NR5A1 Q13285 1/20 0.41
RARB P10826 3/20 0.41
SLC2A1 P11166 1/20 0.41
CYP3A4 P08684 1/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.39
PKM P14618 1/20 0.39

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 0.95 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9509812 0.91 KDM4E (0.45) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9232689 0.90 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9237686 0.90 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9239426 0.90 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9240609 0.90 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9240239 0.90 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9236491 0.90 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9239432 0.90 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9237454 0.90 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 EP claimed
EP-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 EP disclosed