SCHEMBL29786240

SCHEMBL29786240

CCC[C@@H](N(NC(=O)c1ccc2c(c1CC)OCCO2)C(=O)c1cc(C)cc(C)c1)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL668085 1.00 ABCB1 (0.38) ABCB1CYP3A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL2684734 1.00 ABCB1 (0.38) ABCB1CYP3A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL29684755 1.00 ABCB1 (0.38) ABCB1CYP3A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL29684694 0.94 ABCB1 (0.39) ABCB1CYP3A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL667409 0.94 ABCB1 (0.39) ABCB1CYP3A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL15465916 0.93 TAS1R3 (0.33) ALDH1A1HPGDSMN1; SMN2TAS1R3TAS1R1
SCHEMBL2683648 0.91 ABCB1 (0.36) ABCB1CYP3A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL29684859 0.91 ABCB1 (0.36) ABCB1CYP3A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL668634 0.91 ABCB1 (0.36) ABCB1CYP3A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL667491 0.89 PLK1 (0.35) ABCB1ALDH1A1HPGDSMN1; SMN2TAS1R3

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