SCHEMBL24658472

SCHEMBL24658472

C=C(C)[C@H]1C[C@H](NC(=O)CO)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 2/20 0.33
CYP1B1 Q16678 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
EPHX1 P07099 2/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL24658827 0.79 MAOA (0.35) ATMEPHX1
SCHEMBL24658468 0.78 KMT2A (0.51) ALDH1A1ATMKDM4E
SCHEMBL24658658 0.78 HPGD (0.34) ALDH1A1ATMNPSR1SMN1; SMN2EPHX1
SCHEMBL12513739 0.72 KMT2A (0.40) ALDH1A1NPSR1SMN1; SMN2EPHX1
SCHEMBL12436696 0.72 KMT2A (0.40) ALDH1A1NPSR1SMN1; SMN2EPHX1
SCHEMBL24658764 0.72 CYP3A4 (0.32) NPSR1SMN1; SMN2EPHX1
SCHEMBL2093857 0.71
SCHEMBL12510421 0.69 SELL (0.37) ALDH1A1KDM4ENPSR1SMN1; SMN2EPHX1
SCHEMBL13450328 0.68 EPHX2 (0.45) ALDH1A1NPSR1SMN1; SMN2EPHX1
SCHEMBL1715478 0.67 SMN1; SMN2 (0.64) ALDH1A1KDM4ENPSR1SMN1; SMN2EPHX1

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-2022173756-A1 ANTIBACTERIAL COMPOUNDS FORGE THERAPEUTICS, INC. (US) 2022-08-18 WO disclosed