SCHEMBL19985175

SCHEMBL19985175

CCCCC1CCC(C2CCC(c3ccc(OC)c(F)c3F)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
HTR4 Q13639 2/20 0.34
MAPT P10636 2/20 0.33
DRD2 P14416 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CNR2 P34972 3/20 0.33
DPP4 P27487 2/20 0.33
CYP1A2 P05177 2/20 0.33
USP30 Q70CQ3 1/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL17736127 0.96 CNR2 (0.34) ACHEHTR4MAPTDRD2ALDH1A1
SCHEMBL23618040 0.96 ACHE (0.35) ACHEHTR4MAPTDRD2ALDH1A1
SCHEMBL19985205 0.95 MAPT (0.36) ACHEHTR4MAPTDRD2ALDH1A1
SCHEMBL19985213 0.95 MAPT (0.36) ACHEHTR4MAPTDRD2ALDH1A1
SCHEMBL19985179 0.95 MAPT (0.36) ACHEHTR4MAPTDRD2ALDH1A1
SCHEMBL8072011 0.92 ALDH1A1 (0.39) ACHEHTR4MAPTDRD2ALDH1A1
SCHEMBL19253467 0.92 MAPT (0.36) ACHEHTR4MAPTDRD2ALDH1A1
SCHEMBL18134229 0.92 ALDH1A1 (0.39) ACHEHTR4MAPTDRD2ALDH1A1
SCHEMBL12733617 0.92 MAPT (0.36) ACHEHTR4MAPTDRD2ALDH1A1
SCHEMBL9405800 0.92 MAPT (0.36) ACHEHTR4MAPTDRD2ALDH1A1

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-20230265345-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND APPLICATION OF LIQUID CRYSTAL COMPOSITION BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2023-08-24 US disclosed
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed