SCHEMBL8921802

SCHEMBL8921802

CCCCCCCCOc1ncc(-c2cc[c]cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RARB P10826 3/20 0.38
SOAT1 P35610 1/20 0.38
NR5A1 Q13285 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC5A2 P31639 1/20 0.35
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9302214 1.00 KDM4E (0.40) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9866799 1.00 KDM4E (0.40) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8879728 0.83
SCHEMBL9506148 0.82 CYP2D6 (0.57) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9506174 0.82 CYP2D6 (0.57) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9403655 0.82 SOAT1 (0.40) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9062136 0.81 NPC1 (0.58) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9801755 0.81 NPC1 (0.58) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8919072 0.81 NR5A1 (0.57) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8034268 0.81 NR5A1 (0.57) KDM4EALDH1A1HPGDHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464058-B1 FERROELECTRIC LIQUID CRYSTAL MIXTURES HOECHST AG (DE) 1995-06-14 EP claimed
US-5651918-A Optically active 1,3-dioxolane derivatives carrying a mesogenic radical in the 4-position, a process for their preparation and their use as doping agents in liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-29 US disclosed
US-5384070-A Use of optically active tetrahydrofuran-2-carboxylic acid esters as dopants in liquid-crystal mixtures, liquid-crystal mixtures containing same and novel optically active tetrahydrofuran-2-carboxylic acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-24 US disclosed
US-5378394-A Pyrimidine compounds HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
US-5366657-A Esters or ethers for electrooptical apparatus HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-22 US disclosed
US-5348684-A Organosilylalkyl or organosilylalkenyl compounds, process for preparing them and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-20 US disclosed
US-5071589-A Additionally contain dope HOECHST AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
US-4988459-A Electrooptic switches or display HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed