SCHEMBL20649442

SCHEMBL20649442

CC(C)(C)OC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.47
ABCG2 Q9UNQ0 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
MAOB P27338 2/20 0.42
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL15071351 0.89 MAPT (0.60) PPARAABCG2KDM4EMAPTCYP1A1
SCHEMBL17014955 0.87 CA12 (0.51) PPARAABCG2KDM4EMAPTCYP1A1
SCHEMBL21681586 0.87 ALDH1A1 (0.46) PPARAABCG2KDM4EMAPTCYP1A1
SCHEMBL21681587 0.87 ALDH1A1 (0.46) PPARAABCG2KDM4EMAPTCYP1A1
SCHEMBL22887431 0.86 ABCG2 (0.50) PPARAABCG2KDM4EMAPTCYP1A1
SCHEMBL22171107 0.86 ABCG2 (0.54) ABCG2KDM4EMAPTCYP1A1CYP1B1
SCHEMBL19193810 0.86 CYP1A1 (0.53) PPARAABCG2KDM4EMAPTCYP1A1
SCHEMBL22173482 0.86 MAPT (0.47) KDM4EMAPTCYP1A1CYP1B1MAOB
SCHEMBL20402351 0.86 MAPT (0.59) PPARAABCG2KDM4EMAPTCYP1A1
SCHEMBL20669483 0.85 PPARA (0.46) PPARAABCG2KDM4EMAPTCYP1A1

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
US-11028323-B2 Liquid crystal aligning agent containing crosslinking agent and polymer that has site having isocyanate group and/or blocked isocyanate group and site having photoreactivity, liquid crystal alignment film, and liquid crystal display element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-06-08 US disclosed
US-10921650-B2 Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-02-16 US disclosed
US-20190023987-A1 LIQUID CRYSTAL ALIGNING AGENT CONTAINING CROSSLINKING AGENT AND POLYMER THAT HAS SITE HAVING ISOCYANATE GROUP AND/OR BLOCKED ISOCYANATE GROUP AND SITE HAVING PHOTOREACTIVITY, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-24 US disclosed
US-20190018289-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-17 US disclosed