SCHEMBL19628559

SCHEMBL19628559

CCCCCC1CCC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2C9 P11712 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR2 Q92731 1/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
NR5A2 O00482 1/20 0.35
NR5A1 Q13285 1/20 0.35
PTGS1 P23219 1/20 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
SCHEMBL25693895 0.99 MAPT (0.38) CA2CA1ALDH1A1GAAKDM4E
SCHEMBL25693896 0.99 MAPT (0.38) CA2CA1ALDH1A1GAAKDM4E
SCHEMBL19623181 0.95 CA2 (0.39) CA2CA1ALDH1A1GAAKDM4E
SCHEMBL5580680 0.89 CYP2C9 (0.47) CA2CA1ALDH1A1GAAKDM4E
SCHEMBL9939522 0.89 CYP2C9 (0.47) CA2CA1ALDH1A1GAAKDM4E
SCHEMBL17123615 0.85 CYP2C9 (0.43) CA2CA1ALDH1A1GAAKDM4E
SCHEMBL19160572 0.84 CA2 (0.42) CA2CA1ALDH1A1GAAKDM4E
SCHEMBL19677848 0.82 CA2 (0.54) CA2CA1ALDH1A1GAAKDM4E
SCHEMBL20313476 0.81 ESR2 (0.44) ALDH1A1CYP2C9MEN1KMT2AESR2
SCHEMBL19224335 0.81 ALDH1A1 (0.33) CA2CA1ALDH1A1GAAKDM4E

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-12024665-B2 Polymer-stabilized liquid crystal composition and use thereof BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2024-07-02 US disclosed
US-20230183572-A1 LIQUID CRYSTAL COMPOSITION WITH GOOD FREQUENCY DEPENDENCE AND LIQUID CRYSTAL DISPLAY ELEMENT SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2023-06-15 US disclosed
US-20170335195-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2017-11-23 US disclosed