SCHEMBL31416512

SCHEMBL31416512

CC(C)[C@H](NC1CCC1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ EPHX2 P34913 4/20 0.41
▸ C3AR1 Q16581 1/20 0.39
▸ CPB2 Q96IY4 6/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SHMT1 P34896 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ FURIN P09958 1/20 0.35

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
SCHEMBL30645458 0.88 SMN1; SMN2 (0.44) SMN1; SMN2EPHX2C3AR1CPB2ALDH1A1
SCHEMBL29827128 0.82 SMN1; SMN2 (0.42) SMN1; SMN2EPHX2C3AR1CPB2POLB
SCHEMBL1711524 0.81 C3AR1 (0.44) SMN1; SMN2C3AR1POLBSHMT1CTDSP1
SCHEMBL1711520 0.81 C3AR1 (0.44) SMN1; SMN2C3AR1POLBSHMT1CTDSP1
SCHEMBL28574926 0.80 GNPAT (0.45) SMN1; SMN2C3AR1ALDH1A1CTDSP1FURIN
SCHEMBL18688864 0.80 GNPAT (0.45) SMN1; SMN2C3AR1ALDH1A1CTDSP1FURIN
SCHEMBL29360312 0.79 NOD1 (0.48) SMN1; SMN2C3AR1SHMT1CTDSP1FURIN
SCHEMBL16862507 0.79 SMN1; SMN2 (0.48) SMN1; SMN2C3AR1CPB2FURIN
SCHEMBL29886918 0.78 PRCP (0.42) C3AR1CPB2POLB
SCHEMBL19604383 0.78 C3AR1 (0.42) SMN1; SMN2C3AR1POLBSHMT1CTDSP1

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-2025043219-A1 METHODS FOR UNCAGING TETRAZINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-02-27 — — WO disclosed
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