SCHEMBL7658452

SCHEMBL7658452

CC(C)(C)c1ccc(-c2c(-c3ccccc3)c(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c(-c3ccc(-c4ccccc4)cc3)c2-c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PLA2G1B P04054 1/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
KIF11 P52732 6/20 0.38
DHODH Q02127 1/20 0.38
CYP2C9 P11712 1/20 0.37
GPR84 Q9NQS5 1/20 0.35
HSD17B2 P37059 1/20 0.35

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
SCHEMBL26978653 0.89 ALDH1A1 (0.41) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL30524348 0.88 NPC1 (0.46) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL7067289 0.88 NPC1 (0.46) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL374596 0.87 ALDH1A1 (0.40) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL228138 0.84 ALDH1A1 (0.53) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL29631959 0.84 NPC1 (0.40) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL374595 0.84 NPC1 (0.40) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL6056687 0.82 ALDH1A1 (0.36) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL10728586 0.82 ALDH1A1 (0.36) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL29545640 0.82 RXRA (0.43) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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
EP-1240246-A1 NON-EXUDING OPTICALLY BRIGHTENED POLYOLEFIN BLENDS EASTMAN CHEMICAL COMPANY (US) 2002-09-18 EP claimed
WO-2001036533-A1 NON-EXUDING OPTICALLY BRIGHTENED POLYOLEFIN BLENDS EASTMAN CHEMICAL COMPANY (US) 2001-05-25 WO claimed