SCHEMBL25658951

SCHEMBL25658951

C[C@@H](NC(=O)C(C)(C)c1ccc(S)cc1)C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
EPHX2 P34913 4/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MMP2 P08253 2/20 0.37
CA9 Q16790 2/20 0.37
AVPR1A P37288 1/20 0.36
CNR2 P34972 2/20 0.34
NPY2R P49146 1/20 0.34
P2RX7 Q99572 3/20 0.34
SMYD3 Q9H7B4 2/20 0.34
GAA P10253 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL25564790 0.89 GAA (0.43) TAS1R3TAS1R1EPHX2CA12CA1
SCHEMBL3149322 0.82 TAS1R3 (0.48) TAS1R3TAS1R1EPHX2CA12CA1
SCHEMBL15116456 0.70 CA12 (0.53) TAS1R3TAS1R1EPHX2CA12CA1
SCHEMBL19836585 0.69 CA12 (0.56) TAS1R3TAS1R1EPHX2CA12CA1
SCHEMBL27405464 0.69 MAPT (0.52) CNR2NPY2R
SCHEMBL25755234 0.69 CA2 (0.47) TAS1R3TAS1R1EPHX2CA12CA1
SCHEMBL19652079 0.69 CA12 (0.56) TAS1R3TAS1R1EPHX2CA12CA1
SCHEMBL25458511 0.69 TRPV1 (0.37) AVPR1AGAA
SCHEMBL23656871 0.66 CA12 (0.45) TAS1R3TAS1R1EPHX2CA12CA1
SCHEMBL17865784 0.66 CNR2 (0.57) TAS1R3TAS1R1CA12CA1CA2

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-4177249-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-10 EP disclosed