SCHEMBL29786241

SCHEMBL29786241

CCC[C@@H](N(NC(=O)c1cccc(C)c1)C(=O)c1cc(C)cc(C)c1)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.58
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL14763458 1.00 ABCB1 (0.58) ABCB1TAS1R3TAS1R1CYP3A4HPGD
SCHEMBL2684282 1.00 ABCB1 (0.58) ABCB1TAS1R3TAS1R1CYP3A4HPGD
SCHEMBL2684130 1.00 ABCB1 (0.58) ABCB1TAS1R3TAS1R1CYP3A4HPGD
SCHEMBL27797503 0.95 ABCB1 (0.52) ABCB1TAS1R3TAS1R1CYP3A4HPGD
SCHEMBL19946423 0.92 ABCB1 (0.48) ABCB1TAS1R3TAS1R1CYP3A4
SCHEMBL10147876 0.92 ABCB1 (0.48) ABCB1TAS1R3TAS1R1CYP3A4
SCHEMBL10147831 0.92 ABCB1 (0.48) ABCB1TAS1R3TAS1R1CYP3A4
SCHEMBL2681809 0.91 ABCB1 (0.48) ABCB1TAS1R3TAS1R1CYP3A4HPGD
SCHEMBL19946447 0.91 ABCB1 (0.48) ABCB1TAS1R3TAS1R1CYP3A4HPGD
SCHEMBL2682613 0.90 ABCB1 (0.62) ABCB1TAS1R3TAS1R1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357904-B1 CHIRAL DIACHYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX PRECIGEN INC (US) 2022-07-06 EP disclosed