SCHEMBL21944392

SCHEMBL21944392

CC(C)(C)c1cc(-c2cc(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2-c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ RXRB P28702 4/20 0.34
▸ RXRA P19793 3/20 0.34
▸ RXRG P48443 3/20 0.34
▸ PTGES O14684 2/20 0.33
▸ PPARG P37231 2/20 0.33
▸ NR1H4 Q96RI1 2/20 0.33
▸ DNMT1 P26358 3/20 0.32
▸ PGR P06401 1/20 0.32
▸ RORA P35398 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ RORB Q92753 1/20 0.32
▸ KIF11 P52732 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ SERPINE1 P05121 1/20 0.31

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
SCHEMBL21944393 0.93 L3MBTL1 (0.40) KCNH2PPARGNR1H4DNMT1PGR
SCHEMBL21944395 0.93 L3MBTL1 (0.40) KCNH2PPARGNR1H4DNMT1PGR
SCHEMBL21944386 0.92 NR1H4 (0.38) KCNH2HTR1DRXRAPTGESPPARG
SCHEMBL25443956 0.90 PPARG (0.38) PTGESPPARGNR1H4DNMT1PGR
SCHEMBL21944394 0.88 PTAFR (0.33) RXRBRXRARXRGPTGESPPARG
SCHEMBL21944073 0.88 DNMT1 (0.40) KCNH2PTGESPPARGNR1H4DNMT1
SCHEMBL21943780 0.87 KCNH2 (0.42) KCNH2HTR1DPTGESPPARGNR1H4
SCHEMBL21944029 0.87 NR1H4 (0.33) KCNH2HTR1DRXRAPTGESNR1H4
SCHEMBL25443988 0.87 TEAD1 (0.41) KCNH2PPARGKIF11
SCHEMBL21944030 0.87 DNMT1 (0.39) RXRBRXRAPTGESPPARGNR1H4

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-20230145492-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, IMAGE PICKUP ELEMENT, AND IMAGE PICKUP APPARATUS CANON KK (JP) 2023-05-11 — — US disclosed
US-20230145492-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, IMAGE PICKUP ELEMENT, AND IMAGE PICKUP APPARATUS CANON KK (JP) 2023-05-11 — — US disclosed
US-20200119281-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, IMAGE PICKUP ELEMENT, AND IMAGE PICKUP APPARATUS CANON KABUSHIKI KAISHA (JP) 2020-04-16 — — US disclosed
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