SCHEMBL18116337

SCHEMBL18116337

C=CC(=O)Oc1ccc(C(c2ccc(OCC(CC)(COc3ccc(C(c4ccc(OC(=O)C=C)cc4)(C(F)(F)F)C(F)(F)F)cc3)COc3ccc(C(c4ccc(OC(=O)C=C)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 5/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A1 P04798 2/20 0.34
▸ CYP1B1 Q16678 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ THRA P10827 1/20 0.34
▸ PPARD Q03181 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PAX8 Q06710 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
SCHEMBL18116682 0.87 THRB (0.42) THRBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10858115 0.84 THRB (0.47) THRBALDH1A1MAOBCYP11B1CYP11B2
SCHEMBL18116698 0.82 THRB (0.39) THRBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7214471 0.80 THRB (0.74) THRBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL18116303 0.79 THRB (0.41) THRBCYP1A1CYP1B1PPARD
SCHEMBL6733323 0.78 ESR1 (0.56) THRBCYP1A1CYP1B1
SCHEMBL14445729 0.75 THRB (0.61) THRBSMN1; SMN2ALDH1A1KDM4ECYP1A1
SCHEMBL11986138 0.73 PRSS1 (0.40) THRBNPC1CYP1A1CYP1B1MAOB
SCHEMBL11508489 0.72 THRB (0.57) THRBNPC1RAB9AMAOB
SCHEMBL14523540 0.72 THRB (0.57) THRBSMN1; SMN2NPC1RAB9ATHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458269-B2 Polymerizable composition, antireflection film, polarizing plate and image display device each using the same, and water-repellent or oil-repellent film FUJIFILM CORPORATION (JP) 2016-10-04 — — US disclosed
US-9458269-B2 Polymerizable composition, antireflection film, polarizing plate and image display device each using the same, and water-repellent or oil-repellent film FUJIFILM CORPORATION (JP) 2016-10-04 — — US disclosed
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