SCHEMBL5861797

SCHEMBL5861797

CCCCCCOc1ccc(-c2ccc(OCCCCCCO)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.66
NR5A1 Q13285 1/20 0.65
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 2/20 0.58
TP53 P04637 3/20 0.57
TSHR P16473 1/20 0.57
LTA4H P09960 2/20 0.56
PLA2G4B P0C869 1/20 0.56
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP19A1 P11511 1/20 0.53

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
SCHEMBL18682511 0.94 RARB (0.68) RARBNR5A1CYP3A4CYP2D6TP53
SCHEMBL15519209 0.94 NR5A1 (0.71) RARBNR5A1CYP3A4TP53TSHR
SCHEMBL18682513 0.92 RARB (0.65) RARBNR5A1CYP3A4CYP2D6TP53
SCHEMBL15519563 0.92 NR5A1 (0.68) RARBNR5A1CYP3A4TP53TSHR
SCHEMBL877946 0.91 MEN1 (0.69) RARBNR5A1CYP3A4TP53TSHR
SCHEMBL11850182 0.90 NR5A1 (0.71) RARBNR5A1CYP3A4TP53TSHR
SCHEMBL15923762 0.90 NR5A1 (0.71) RARBNR5A1CYP3A4TP53TSHR
SCHEMBL11853268 0.90 NR5A1 (0.71) RARBNR5A1CYP3A4TP53TSHR
SCHEMBL4241629 0.90 NR5A1 (0.64) NR5A1CYP3A4CYP2D6TP53TSHR
SCHEMBL7775244 0.90 RARB (0.71) RARBNR5A1CYP3A4CYP2D6TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010118755-A1 MALEIMIDE-N-VINYLLACTAM BASED SIDECHAIN POLYMERS FOR LCD ALIGNMENT LAYERS KOMITOV LACHEZAR (SE) 2010-10-21 WO disclosed
US-7070712-B2 Acetylene polymers and their use as liquid crystals THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (HK) 2006-07-04 US disclosed
US-20060022169-A1 Acetylene polymers and their use as liquid crystals THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (HK) 2006-02-02 US disclosed
US-20040140449-A1 Acetylene polymers and their use as liquid crystals THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (HK) 2004-07-22 US disclosed
US-20030164474-A1 Acetylene polymers and their use as liquid crystals THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY 2003-09-04 US disclosed
US-20020033474-A1 Acetylene polymers and their use as liquid crystals TANG BEN ZHONG (HK) 2002-03-21 US disclosed