SCHEMBL21943772

SCHEMBL21943772

CC(C)(C)c1ccc(-c2cc(-c3cccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3)c(-c3ccc(C(C)(C)C)cc3)cc2-c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ SERPINE1 P05121 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KIF11 P52732 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
▸ 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

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
SCHEMBL21943771 0.90 OPRD1 (0.37) OPRD1ALDH1A1MAPTOPRM1SERPINE1
SCHEMBL8739889 0.88 KIF11 (0.42) OPRD1ALDH1A1MAPTOPRM1SERPINE1
SCHEMBL21944399 0.88 ALDH1A1 (0.40) OPRD1ALDH1A1MAPTOPRM1SERPINE1
SCHEMBL21944405 0.88 ALDH1A1 (0.38) OPRD1ALDH1A1MAPTOPRM1SERPINE1
SCHEMBL21944386 0.86 NR1H4 (0.38) NR1H4KIF11PGRRORARORC
SCHEMBL21944073 0.85 DNMT1 (0.40) ALDH1A1MAPTSERPINE1NR1H4KIF11
SCHEMBL21944402 0.84 PTGES (0.38) ALDH1A1MAPTNR1H4HTR1DDNMT1
SCHEMBL14464646 0.84 RXRA (0.43) OPRD1ALDH1A1MAPTOPRM1SERPINE1
SCHEMBL21944030 0.84 DNMT1 (0.39) ALDH1A1MAPTSERPINE1NR1H4KIF11
SCHEMBL21944403 0.84 PTGES (0.36) ALDH1A1MAPTSERPINE1NR1H4KIF11

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-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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