SCHEMBL6253779

SCHEMBL6253779

CCCCCCCCOc1ccc(-c2cnc(-c3ccc(COC(CCCCCC)C(F)(F)F)cc3)nc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.39
S1PR3 Q99500 3/20 0.39
S1PR4 O95977 3/20 0.39
S1PR5 Q9H228 3/20 0.39
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
S1PR2 O95136 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN11 Q06124 4/20 0.35

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
SCHEMBL6251962 0.85 RAB9A (0.45) RAB9AKDM4ESMN1; SMN2HSD17B10MEN1
SCHEMBL6251908 0.83 MAPT (0.51) S1PR1S1PR3S1PR4S1PR5RAB9A
SCHEMBL6255691 0.83 MAPT (0.51) S1PR1S1PR3S1PR4S1PR5RAB9A
SCHEMBL6256073 0.81 MAPT (0.51) S1PR1S1PR3S1PR4S1PR5RAB9A
SCHEMBL8757828 0.81 RAB9A (0.50) S1PR1S1PR3S1PR4S1PR5RAB9A
SCHEMBL6250654 0.79 MAPT (0.42) S1PR1S1PR3S1PR4S1PR5RAB9A
SCHEMBL9399140 0.77 RAB9A (0.53) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL30494129 0.77 BDKRB2 (0.41) KDM4EHSD17B10MEN1ALDH1A1MAPT
SCHEMBL9740927 0.76 MEN1 (0.52) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9429039 0.76 NR5A1 (0.46) S1PR1S1PR3S1PR5RAB9AHPGD

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
EP-0884309-B1 Optically active compound, antiferroelectric liquid crystal composition containing the same, process for producing the same and process for producing optically active carboxylic acid SEMICONDUCTOR ENERGY LAB (JP) 2005-09-07 EP claimed
EP-0884309-B1 Optically active compound, antiferroelectric liquid crystal composition containing the same, process for producing the same and process for producing optically active carboxylic acid SEMICONDUCTOR ENERGY LAB (JP) 2005-09-07 EP disclosed
US-5965059-A Optically active compound, antiferroelectric liquid crystal composition containing the same, process for producing the same and process for producing an optically active carboxylic acid TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-10-12 US disclosed
EP-0884309-A1 Optically active compound, antiferroelectric liquid crystal composition containing the same, process for producing the same and process for producing optically active carboxylic acid Takasago International Corporation (JP) 1998-12-16 EP disclosed