SCHEMBL21537182

SCHEMBL21537182

CC(C)(C)c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4)c4c3C(=O)OC4=O)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ RORB Q92753 1/20 0.34
▸ KIF11 P52732 2/20 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
SCHEMBL21537147 0.84 GPR84 (0.36) RAB9ANPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL21537200 0.82 GPR84 (0.35) RAB9ANPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL21536934 0.82 L3MBTL1 (0.41) RAB9ANPC1ALDH1A1L3MBTL1GPR84
SCHEMBL21537218 0.79 GPR84 (0.38) RAB9ANPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL21537247 0.78 GPR84 (0.34) RAB9ANPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL21536898 0.77 CA9 (0.40) RAB9ANPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL8642413 0.75 KIF11 (0.54) RAB9ANPC1ALDH1A1LMNATP53
SCHEMBL12951069 0.75 KIF11 (0.54) RAB9ANPC1ALDH1A1LMNATP53
SCHEMBL16343998 0.75 KIF11 (0.54) RAB9ANPC1ALDH1A1LMNATP53
SCHEMBL22079658 0.73 PTGES (0.44) RAB9ANPC1ALDH1A1PLA2G1BNFKB1

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-11696500-B2 Organic electroluminescent element, display device, illumination device, and pi-conjugated compound MERCK PATENT GMBH (DE) 2023-07-04 — — US disclosed
US-11696500-B2 Organic electroluminescent element, display device, illumination device, and pi-conjugated compound MERCK PATENT GMBH (DE) 2023-07-04 — — US disclosed
US-20190334097-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, ILLUMINATION DEVICE, AND PI-CONJUGATED COMPOUND UDC IRELAND LIMITED (IE) 2019-10-31 — — US disclosed
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