SCHEMBL25124669

SCHEMBL25124669

CC(C)(C)c1ccc2c(c1)-c1c(Nc3ccccc3-c3ccccc3-c3ccccc3)cc(-c3ccccc3)cc1C2(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 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
▸ FABP3 P05413 1/20 0.31
▸ FABP4 P15090 1/20 0.31
▸ FABP5 Q01469 1/20 0.31
▸ KCNK18 Q7Z418 1/20 0.31
▸ CYP19A1 P11511 1/20 0.30
▸ TACR1 P25103 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
SCHEMBL24969676 0.95 FABP3 (0.35) HSD17B2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL24969677 0.84 SYK (0.37) HSD17B2KCNK18
SCHEMBL25858324 0.82 FABP3 (0.40) ALDH1A1RAB9AL3MBTL1FABP3FABP4
SCHEMBL26600083 0.81 NPC1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL25125106 0.75 KCNK18 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL31069402 0.74 ALDH1A1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL23421633 0.74 ALDH1A1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL25124677 0.74 FABP4 (0.39) ALDH1A1FABP3FABP4FABP5
SCHEMBL30363478 0.74 KCNK18 (0.37) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL25124638 0.72 PDK2 (0.37) NPC1ALDH1A1RAB9AL3MBTL1FABP3

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-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 — — US disclosed
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 — — US disclosed
US-20230111469-A1 Organic Electronic Device DUK SAN NEOLUX CO., LTD. (KR) 2023-04-13 — — US disclosed
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