SCHEMBL20048041

SCHEMBL20048041

CCCCCc1cc(C)c(O)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.53
CYP3A4 P08684 2/20 0.53
PTGS1 P23219 2/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GPR84 Q9NQS5 2/20 0.43
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8885212 0.89 PTGS2 (0.61) PTGS2CYP3A4PTGS1HTTNPC1
SCHEMBL1021166 0.87 PTGS2 (0.63) PTGS2CYP3A4PTGS1HTTNPC1
SCHEMBL5676804 0.85 HTT (0.60) PTGS2CYP3A4PTGS1HTTNPC1
SCHEMBL199839 0.85 PTGS2 (0.64) PTGS2CYP3A4PTGS1HTTNPC1
SCHEMBL199952 0.85 PTGS2 (0.64) PTGS2CYP3A4PTGS1HTTNPC1
SCHEMBL6211237 0.85 PTGS2 (0.64) PTGS2CYP3A4PTGS1HTTNPC1
SCHEMBL7953613 0.85 PTGS2 (0.64) PTGS2CYP3A4PTGS1HTTNPC1
SCHEMBL11762753 0.85 PTGS2 (0.64) PTGS2CYP3A4PTGS1HTTNPC1
SCHEMBL21612724 0.85 PTGS2 (0.64) PTGS2CYP3A4PTGS1HTTNPC1
SCHEMBL28884108 0.85 PTGS2 (0.64) PTGS2CYP3A4PTGS1HTTNPC1

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
US-10934486-B2 Liquid crystal composition, liquid crystal mixture, reverse-mode polymer dispersed liquid crystal element, and associated selectively dimmable device NITTO DENKO CORPORATION (JP) 2021-03-02 US disclosed
US-10934486-B2 Liquid crystal composition, liquid crystal mixture, reverse-mode polymer dispersed liquid crystal element, and associated selectively dimmable device NITTO DENKO CORPORATION (JP) 2021-03-02 US disclosed
US-20190233728-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL MIXTURE, REVERSE-MODE POLYMER DISPERSED LIQUID CRYSTAL ELEMENT, AND ASSOCIATED SELECTIVELY DIMMABLE DEVICE NITTO DENKO CORPORATION (JP) 2019-08-01 US disclosed
US-20190233728-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL MIXTURE, REVERSE-MODE POLYMER DISPERSED LIQUID CRYSTAL ELEMENT, AND ASSOCIATED SELECTIVELY DIMMABLE DEVICE NITTO DENKO CORPORATION (JP) 2019-08-01 US disclosed
WO-2018068023-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL MIXTURE, REVERSE-MODE POLYMER DISPERSED LIQUID CRYSTAL ELEMENT, AND ASSOCIATED SELECTIVELY DIMMABLE DEVICE NITTO DENKO CORPORATION (JP) 2018-04-12 WO disclosed
WO-2018068023-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL MIXTURE, REVERSE-MODE POLYMER DISPERSED LIQUID CRYSTAL ELEMENT, AND ASSOCIATED SELECTIVELY DIMMABLE DEVICE NITTO DENKO CORPORATION (JP) 2018-04-12 WO disclosed