SCHEMBL30148969

SCHEMBL30148969

CCCCOC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2c(F)cncc2F)cc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VHL P40337 11/20 0.46
ELOC Q15369 3/20 0.46
ELOB Q15370 3/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
ESR1 P03372 6/20 0.42
ESR2 Q92731 4/20 0.42
MAP2K2 P36507 4/20 0.41
MAP2K1 Q02750 4/20 0.41
CRBN Q96SW2 1/20 0.41

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
SCHEMBL24757097 0.88 VHL (0.49) VHLELOCELOBHDAC3HDAC1
SCHEMBL27359486 0.85 VHL (0.50) VHLELOCELOBHDAC3HDAC1
SCHEMBL30169107 0.83 VHL (0.64) VHLELOCELOBHDAC3HDAC1
Hydrochloric Acid SCHEMBL30169195 0.83 VHL (0.63) VHLELOCELOBHDAC3HDAC1
SCHEMBL24756803 0.81 VHL (0.46) VHLELOCELOBHDAC3HDAC1
SCHEMBL31206936 0.80 VHL (0.48) VHLELOCELOB
SCHEMBL24757837 0.80 VHL (0.48) VHLELOCELOB
SCHEMBL27360238 0.79 VHL (0.46) VHLELOCELOB
SCHEMBL34471120 0.76 VHL (0.49) VHLELOCELOBHDAC3HDAC1
SCHEMBL31573251 0.75 VHL (0.68) VHLELOCELOBHDAC3HDAC1

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-2022266206-A1 KRAS INHIBITOR CONJUGATES ERASCA, INC. (US) 2022-12-22 WO disclosed