SCHEMBL9237120

SCHEMBL9237120

CCCCCCCCCCCOc1ccc(-c2ccc(OCC(C)CC)cc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
CYP2D6 P10635 5/20 0.40
CYP19A1 P11511 5/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP1A2 P05177 3/20 0.40
PLA2G2A P14555 1/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
RARB P10826 3/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MITF O75030 1/20 0.39
NR5A1 Q13285 1/20 0.38
SOAT1 P35610 1/20 0.38

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
SCHEMBL9240392 1.00 KDM4E (0.45) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL9239871 1.00 KDM4E (0.45) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL9239002 1.00 KDM4E (0.45) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL9240485 1.00 KDM4E (0.45) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL9240990 1.00 KDM4E (0.45) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL9237238 1.00 KDM4E (0.45) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL9237207 0.99 KDM4E (0.43) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL9239009 0.96 CYP2D6 (0.43) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL9239770 0.95 L3MBTL1 (0.48) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL10719111 0.95 L3MBTL1 (0.48) KDM4EALDH1A1L3MBTL1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389290-A Ferroelectric liquid crystalline materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
US-5089168-A Stable ferroelectric liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-02-18 US disclosed
EP-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 EP disclosed
US-4834904-A FERROELECTRIC LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 US disclosed