SCHEMBL29348449

SCHEMBL29348449

O=C1CCC(c2cccc(-c3ccc(C(=O)N4CCCCC4)cc3)c2Cl)C(O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.46
BRD4 O60885 2/20 0.46
HPGD P15428 6/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
MAOA P21397 1/20 0.37
MET P08581 1/20 0.36
MBTD1 Q05BQ5 2/20 0.36

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
SCHEMBL29348448 0.86 FFAR2 (0.34) CREBBPBRD4
SCHEMBL31068121 0.81 CREBBP (0.47) CREBBPBRD4HPGDMAPK1ALDH1A1
SCHEMBL29348783 0.81 CREBBP (0.47) CREBBPBRD4HPGDMAPK1ALDH1A1
SCHEMBL29348412 0.80 CREBBP (0.48) CREBBPBRD4HPGDMAPK1ALDH1A1
SCHEMBL29348360 0.77 PDCD1LG2 (0.39) CREBBPBRD4HPGDALDH1A1SMN1; SMN2
SCHEMBL29348200 0.76 F10 (0.36)
SCHEMBL29348769 0.76 F10 (0.36)
SCHEMBL29349028 0.76 CNR2 (0.36) CREBBPBRD4
SCHEMBL29348526 0.76 ROCK2 (0.35) CREBBPBRD4
SCHEMBL29348513 0.74 GRM2 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2

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