SCHEMBL23318257

SCHEMBL23318257

C=CC(=O)n1c2ccccc2c2cc(C(=O)NCC(C)(C)OCC(C)(C)NC(C)=O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 11/20 0.38
▸ PTGER4 P35408 4/20 0.38
▸ NPY5R Q15761 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL23318453 0.79 PTGER4 (0.32) PTGER4
SCHEMBL23318279 0.74 RORC (0.44) RORCNPY5RPTGDR2CNR2
SCHEMBL23318574 0.74 BRD4 (0.51) —
SCHEMBL31662502 0.69 KDM4E (0.61) PTGER4LMNAPTGDR2ALDH1A1HPGD
SCHEMBL23306643 0.69 KDM4E (0.61) PTGER4LMNAPTGDR2ALDH1A1HPGD
SCHEMBL24115689 0.69 PRSS1 (0.37) LMNAALDH1A1HPGD
SCHEMBL811819 0.66 POLB (0.55) LMNAALDH1A1HPGD
SCHEMBL32689427 0.66 POLB (0.55) LMNAALDH1A1HPGD
SCHEMBL23318385 0.65 CNR2 (0.50) CNR2
SCHEMBL11846379 0.62 KRAS (0.43) RORCPTGER4NPY5RLMNAPTGDR2

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-2021087096-A1 P53 MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-06 — — WO disclosed
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