SCHEMBL29863674

SCHEMBL29863674

CC(C)CC(C(=O)O)n1cc(CCN(C)C)c(C(F)(F)F)cc1=O.CCOC(=O)C(CC(C)C)n1cc(CCN(C)C)c(C(F)(F)F)cc1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.31
HTR6 P50406 1/20 0.31
MDM2 Q00987 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL21459374 0.97 HTR6 (0.32) HTR6MDM2TP53
SCHEMBL21459657 0.92 POLQ (0.33) POLQHTR6
SCHEMBL23250487 0.91 THRA (0.31)
SCHEMBL29863760 0.90 POLQ (0.32) POLQ
SCHEMBL29863621 0.89 POLQ (0.32) POLQHTR6
SCHEMBL23248902 0.88 HTR6 (0.32) HTR6
SCHEMBL29864060 0.88 EPHX2 (0.32) POLQMDM2TP53
SCHEMBL29864191 0.88 HTR6 (0.33) HTR6MDM2TP53
SCHEMBL23249152 0.87 RET (0.32)
SCHEMBL23249150 0.87 EPHX2 (0.33) HTR6

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-4045039-A1 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 Morphic Therapeutic, Inc. (US) 2022-08-24 EP disclosed