SCHEMBL30256972

SCHEMBL30256972

C[C@H](NC1C=Cc2ccccc21)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.36
HDAC4 P56524 1/20 0.35
RBP4 P02753 2/20 0.35
KMT2A Q03164 3/20 0.35
ADAMTS4 O75173 1/20 0.35
POLB P06746 1/20 0.35
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 1/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 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
SCHEMBL29732990 0.79 FNTA (0.36) SMN1; SMN2
SCHEMBL4232497 0.75 SIGMAR1 (0.36) SIGMAR1LMNA
SCHEMBL3601522 0.75 MEN1 (0.36) SIGMAR1HDAC4KMT2AMEN1LMNA
SCHEMBL4784939 0.75 CYP3A4 (0.35) LMNAKDM1A
SCHEMBL4784944 0.75 CYP3A4 (0.35) LMNAKDM1A
SCHEMBL835707 0.73 MTNR1A (0.39) SIGMAR1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL2595205 0.72 P2RX4 (0.37) SIGMAR1HDAC4KMT2AP2RX1P2RX3
SCHEMBL3601520 0.71 HTR2A (0.33) SIGMAR1HDAC4KMT2AP2RX1P2RX3
Cadaverine Tartrate SCHEMBL28970956 0.71 MAOB (0.36) SIGMAR1KDM1A
Tartaric Acid SCHEMBL30356997 0.71 MAOB (0.36) SIGMAR1KDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201628-A Transmembrane peptide antagonists of plexin A1 and therapeutic uses thereof 斯特拉斯堡大学 2024-06-14 CN disclosed
CN-113376281-B Method for simultaneously detecting 14 metabolites in lycoris plant alkaloid synthesis pathway 上海市农业科学院 2023-02-07 CN disclosed