SCHEMBL19901598

SCHEMBL19901598

CC(C)(C)CC(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL20781252 0.99 USP2 (0.41) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL19901604 0.86 USP2 (0.33) TSHRUSP2MAPTGAA
SCHEMBL18678012 0.85 HTT (0.31)
SCHEMBL18678011 0.85 HTT (0.31)
SCHEMBL20391596 0.85 USP2 (0.34) TSHRUSP2MAPT
SCHEMBL25730862 0.84 USP2 (0.38) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL22538893 0.83
SCHEMBL22355118 0.83 USP2 (0.40) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL14536413 0.81 HTT (0.34)
SCHEMBL18678015 0.80 POLB (0.37) TSHRMAPTGAAKDM4ETDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9904099-B2 Liquid crystal display device FUJIFILM CORPORATION (JP) 2018-02-27 US disclosed