SCHEMBL29951703

SCHEMBL29951703

C[C@@](N)(C(=O)O)c1cccc(C=O)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 2/20 0.38
TERT O14746 15/20 0.37
FGFR4 P22455 1/20 0.33
CCR1 P32246 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL29951088 1.00 CYP2C19 (0.38) CYP2C19CYP1A2TERTFGFR4CCR1
SCHEMBL29791978 0.78 TERT (0.38) TERTFGFR4CCR1
SCHEMBL2559436 0.78 TERT (0.38) TERTFGFR4CCR1
SCHEMBL2436886 0.77 CCR1 (0.40) TERTCCR1
SCHEMBL10322275 0.77 CYP1A2 (0.40) CYP2C19CYP1A2CYP2D6
SCHEMBL2561564 0.75 P2RX7 (0.41) CYP2C19CYP1A2CYP2D6
SCHEMBL2556047 0.75 P2RX7 (0.41) CYP2C19CYP1A2CYP2D6
SCHEMBL23397426 0.73 TERT (0.39) TERTCCR1
SCHEMBL29416952 0.70 P2RX7 (0.43) TERTCCR1
SCHEMBL2259087 0.70 P2RX7 (0.43) TERTCCR1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed