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SCHEMBL21944027

SCHEMBL21944027

CC(C)(C)c1ccc2cc(-c3cc(-c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4)c(-c4ccc5cc(C(C)(C)C)ccc5c4)cc3-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.40
▸ PTGES O14684 3/20 0.39
▸ HTR1D P28221 1/20 0.33
▸ PPARG P37231 5/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ CASR P41180 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.31
▸ DNMT1 P26358 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ RORA P35398 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ RORB Q92753 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
SCHEMBL21944402 0.93 PTGES (0.38) KCNH2PTGESHTR1DPPARGNR3C1
SCHEMBL21944386 0.90 NR1H4 (0.38) KCNH2PTGESHTR1DPPARGNR1H4
SCHEMBL21944403 0.89 PTGES (0.36) KCNH2PTGESPPARGNR1H4DNMT1
SCHEMBL21944398 0.89 PTGES (0.35) KCNH2PTGESHTR1DNR3C1CASR
SCHEMBL21944392 0.85 KCNH2 (0.35) KCNH2PTGESHTR1DPPARGNR1H4
SCHEMBL21944073 0.85 DNMT1 (0.40) KCNH2PTGESPPARGNR1H4DNMT1
SCHEMBL20825696 0.85 PTGES (0.42) KCNH2PTGESHTR1DPPARGCASR
SCHEMBL20826233 0.85 PTGES (0.42) KCNH2PTGESHTR1DPPARGCASR
SCHEMBL25443988 0.84 TEAD1 (0.41) KCNH2PPARG
SCHEMBL21944030 0.84 DNMT1 (0.39) PTGESPPARGNR1H4DNMT1ALDH1A1

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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