SCHEMBL9435131

SCHEMBL9435131

CCCCCCCCOc1ccc(-c2ccc(OCCCCC)cc2)nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
HTT P42858 1/20 0.57
CYP2D6 P10635 6/20 0.51
CYP19A1 P11511 6/20 0.51
CYP2C9 P11712 5/20 0.51
CYP2C19 P33261 5/20 0.51
CYP1A2 P05177 3/20 0.51
NR5A1 Q13285 1/20 0.50
RARB P10826 3/20 0.49
CYP3A4 P08684 1/20 0.49
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MITF O75030 1/20 0.46
PKM P14618 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL9435152 1.00 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9435143 1.00 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9082992 0.93 KDM4E (0.61) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9082997 0.90 KDM4E (0.56) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9083783 0.90 KDM4E (0.57) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9156630 0.89 KDM4E (0.47) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9235964 0.87 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9237754 0.87 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9240392 0.87 KDM4E (0.45) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9240990 0.87 KDM4E (0.45) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5279762-A High speed switching MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed
EP-0220296-B1 SMECTIC LIQUID CRYSTALLINE PHASES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-28 EP disclosed
US-5064566-A Chirally tilted, pyrimidines, pyridines, or pyrazines, stability MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-12 US disclosed
EP-0220296-A1 SMECTIC LIQUID CRYSTALLINE PHASES. MERCK PATENT GMBH (DE) 1987-05-06 EP disclosed
WO-1986006401-A1 SMECTIC LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-11-06 WO disclosed