SCHEMBL25810334

SCHEMBL25810334

CC(C)(C)c1ccc(-c2cc(C(C)(C)C)ccc2Nc2ccc3c(c2)C(C)(C)c2cc4c(cc2C3(C)C)C(C)(C)c2ccccc2C4(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK18 Q7Z418 1/20 0.35
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 2/20 0.33
▸ P2RY1 P47900 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ KIF11 P52732 2/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ TRPV1 Q8NER1 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
SCHEMBL24772229 0.99 KCNK18 (0.36) KCNK18AKR1C3AKR1C2P2RY1NPC1
SCHEMBL23927586 0.94 KCNK18 (0.36) KCNK18AKR1C3AKR1C2P2RY1NPC1
SCHEMBL25810318 0.90 JAK2 (0.34) AKR1C3AKR1C2
SCHEMBL25810310 0.85 KCNK18 (0.32) KCNK18AKR1C3AKR1C2P2RY1
SCHEMBL25810292 0.85 TRPV1 (0.35) KCNK18AKR1C3AKR1C2P2RY1TRPV1
SCHEMBL30363263 0.84 PDK2 (0.39) KCNK18AKR1C3AKR1C2NPC1ALDH1A1
SCHEMBL26599461 0.84 PDK2 (0.39) KCNK18AKR1C3AKR1C2NPC1ALDH1A1
SCHEMBL30363478 0.84 KCNK18 (0.37) KCNK18AKR1C3AKR1C2P2RY1NPC1
SCHEMBL25810240 0.82 P2RY1 (0.34) KCNK18AKR1C3AKR1C2P2RY1
SCHEMBL23444328 0.81 RARA (0.39) AKR1C3AKR1C2ALDH1A1

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-20230200205-A1 Emitting Compound and Organic Light Emitting Device Including the Same LG DISPLAY CO., LTD. (KR) 2023-06-22 — — US disclosed
US-20230200205-A1 Emitting Compound and Organic Light Emitting Device Including the Same LG DISPLAY CO., LTD. (KR) 2023-06-22 — — US disclosed
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