SCHEMBL29348689

SCHEMBL29348689

O=C1CCC(c2cccc(-c3ccc4c(c3)CCC(=O)N4)c2Cl)C(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 6/20 0.44
CRBN Q96SW2 6/20 0.44
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
CYP1A2 P05177 2/20 0.43
TBXAS1 P24557 1/20 0.43
KIF11 P52732 1/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
PGR P06401 1/20 0.40
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL31068156 1.00 DDB1 (0.44) DDB1CRBNCYP11B1CYP11B2CYP2C9
SCHEMBL31068335 0.92 PGR (0.50) DDB1CRBNCYP11B1CYP11B2PDE3B
SCHEMBL31068353 0.90 DDB1 (0.43) DDB1CRBNCYP11B1CYP11B2CYP2C9
SCHEMBL29348683 0.88 DDB1 (0.42) DDB1CRBNCYP11B1CYP11B2CYP2C9
SCHEMBL31068108 0.88 DDB1 (0.42) DDB1CRBNCYP11B1CYP11B2CYP2C9
SCHEMBL31068273 0.84 DDB1 (0.43) DDB1CRBNPGRGRIA1CACNG8
SCHEMBL38664518 0.84 DDB1 (0.40) DDB1CRBNCYP11B1CYP11B2CYP2C9
SCHEMBL29348693 0.84 DDB1 (0.43) DDB1CRBNPGRGRIA1CACNG8
SCHEMBL31068286 0.84 CREBBP (0.44) DDB1CRBNMAPTBRD4CREBBP
SCHEMBL29348696 0.84 CREBBP (0.44) DDB1CRBNMAPTBRD4CREBBP

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
WO-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed