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Sugi Predict / Compounds / SCHEMBL21943771

SCHEMBL21943771

SCHEMBL21943771

CC(C)(C)c1cc(-c2cc(-c3cccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3)c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2-c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2)cc(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 4/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ RXRA P19793 2/20 0.35
▸ RXRB P28702 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ SERPINE1 P05121 1/20 0.33
▸ DNMT1 P26358 3/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ RORA P35398 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ RORB Q92753 1/20 0.33

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
SCHEMBL21943772 0.90 OPRD1 (0.38) OPRD1KIF11RXRARXRBALDH1A1
SCHEMBL8739889 0.87 KIF11 (0.42) OPRD1KIF11RXRARXRBALDH1A1
SCHEMBL21944392 0.84 KCNH2 (0.35) KIF11RXRARXRBSERPINE1DNMT1
SCHEMBL16605612 0.82 KIF11 (0.39) OPRD1KIF11RXRARXRBALDH1A1
SCHEMBL21943770 0.82 PGR (0.34) OPRD1KIF11ALDH1A1MAPTNOTUM
SCHEMBL63688 0.82 NOTUM (0.42) OPRD1KIF11ALDH1A1NOTUMOPRM1
SCHEMBL31297416 0.82 NOTUM (0.42) OPRD1KIF11ALDH1A1NOTUMOPRM1
SCHEMBL21944399 0.81 ALDH1A1 (0.40) OPRD1ALDH1A1MAPTNOTUMOPRM1
SCHEMBL21944405 0.81 ALDH1A1 (0.38) OPRD1ALDH1A1MAPTNOTUMOPRM1
SCHEMBL8282702 0.81 KDM4E (0.46) OPRD1KIF11RXRARXRBALDH1A1

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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