SCHEMBL21944398

SCHEMBL21944398

CC(C)(C)c1ccc(-c2cc(-c3ccc4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4c3)c(-c3ccc(C(C)(C)C)cc3)cc2-c2ccc3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ NR3C1 P04150 1/20 0.33
▸ HTR1D P28221 1/20 0.32
▸ NR1H4 Q96RI1 2/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ CASR P41180 1/20 0.31
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ DNMT1 P26358 3/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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 0.96 PTGES (0.38) PTGESKCNH2NR3C1HTR1DNR1H4
SCHEMBL20826223 0.90 KCNH2 (0.39) PTGESKCNH2HTR1DNR1H4LCK
SCHEMBL20826117 0.90 KCNH2 (0.39) PTGESKCNH2HTR1DNR1H4LCK
SCHEMBL21944403 0.90 PTGES (0.36) PTGESKCNH2NR1H4GPR84DNMT1
SCHEMBL21944027 0.89 KCNH2 (0.40) PTGESKCNH2NR3C1HTR1DNR1H4
SCHEMBL21944386 0.87 NR1H4 (0.38) PTGESKCNH2HTR1DNR1H4AKR1C3
SCHEMBL20825696 0.86 PTGES (0.42) PTGESKCNH2HTR1DNR1H4LCK
SCHEMBL20826233 0.86 PTGES (0.42) PTGESKCNH2HTR1DNR1H4LCK
SCHEMBL20826221 0.84 PTGES (0.41) PTGESKCNH2NR1H4CASRNPC1
SCHEMBL21943772 0.83 OPRD1 (0.38) HTR1DNR1H4DNMT1ALDH1A1MAPT

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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