SCHEMBL9237454

SCHEMBL9237454

CCCCCCCCCOc1ccc(-c2ccc(OC(C)CCCCCC)cc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
SOAT1 P35610 1/20 0.38
GRM2 Q14416 1/20 0.38
CYP2D6 P10635 4/20 0.37
CYP19A1 P11511 4/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
RARB P10826 3/20 0.36
NPC1 O15118 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
SCHEMBL9236491 1.00 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9239426 1.00 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9240609 1.00 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9237686 1.00 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9239432 1.00 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9240239 1.00 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9232689 1.00 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9237482 0.99 KDM4E (0.41) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9840404 0.90 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9839323 0.85 L3MBTL1 (0.48) 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 3 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
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