SCHEMBL30958562

SCHEMBL30958562

CCOC(=O)C1=CNC(C)=C(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 4/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 6/20 0.38
TSHR P16473 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL7425087 0.90 KDM4E (0.59) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL7427655 0.88 KDM4E (0.35) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL9269234 0.86 KDM4E (0.50) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL14957475 0.82 ALOX15 (0.43) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL21121534 0.81 NOTUM (0.33) ALOX15TSHR
SCHEMBL431671 0.77 KDM4E (0.41) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL28778217 0.76 KDM4E (0.43) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL9797391 0.74 KDM4E (0.48) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL8037231 0.73 KDM4E (0.86) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL14424336 0.73 SMN1; SMN2 (0.39) KDM4EMAPTMEN1ALOX15KMT2A

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
CN-118271201-A With NMDA receptor-Ca2+Heterodiad compound with channel as target point, and preparation method and application thereof 合肥工业大学 2024-07-02 CN disclosed