SCHEMBL29459485

SCHEMBL29459485

CC(C)(C)c1ccc(-c2ccc(P(O)O)c(-c3ccccc3)c2-c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
MAPT P10636 2/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL2291485 1.00 ALDH1A1 (0.35) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL29459435 0.95 ALDH1A1 (0.35) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL8378516 0.91 NPC1 (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL29459528 0.91 NPC1 (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL3473918 0.85 ALDH1A1 (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL10728586 0.84 ALDH1A1 (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL3031172 0.83 ALDH1A1 (0.38) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL26978653 0.82 ALDH1A1 (0.41) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL2291480 0.81 ALDH1A1 (0.40) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL10728572 0.81 NPC1 (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113383035-B Molding material comprising carbon fiber-reinforced polycarbonate resin composition 帝人株式会社 2023-08-01 CN disclosed
CN-110799593-B Resin composition and molded article 大金工业株式会社 2022-10-21 CN disclosed
CN-111683991-B Polycarbonate resin and method for producing same 帝人株式会社 2022-07-08 CN disclosed
CN-110869415-B Polycarbonate copolymer 帝人株式会社 2022-06-17 CN disclosed
CN-114630859-A Polycarbonate resin composition and molded article thereof 帝人株式会社 2022-06-14 CN disclosed
WO-2022075328-A1 POLYCARBONATE RESIN COMPOSITION AND CIRCUIT MOLDED ARTICLE FOR COMMUNICATION DEVICES 帝人株式会社 2022-04-14 WO disclosed