SCHEMBL23299597

SCHEMBL23299597

O=c1cc(-c2ccc(O)cc2)oc2c(O)ccc(O)c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 2/20 0.72
▸ CDK5R1 Q15078 2/20 0.72
▸ CBS P35520 2/20 0.72
▸ PTPN1 P18031 1/20 0.72
▸ KMT2A Q03164 4/20 0.67
▸ MAPT P10636 3/20 0.67
▸ PKM P14618 3/20 0.67
▸ KDM4E B2RXH2 2/20 0.67
▸ APEX1 P27695 2/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ INPPL1 O15357 1/20 0.67
▸ ALPL P05186 1/20 0.67
▸ POLB P06746 1/20 0.67
▸ ALPI P09923 1/20 0.67
▸ GAA P10253 1/20 0.67
▸ ALPG P10696 1/20 0.67
▸ RECQL P46063 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ MCL1 Q07820 1/20 0.67
▸ PFKFB3 Q16875 1/20 0.67

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
SCHEMBL4783697 0.87 ALDH1A1 (0.67) CDK5CDK5R1CBSPTPN1KMT2A
SCHEMBL476215 0.84 CBS (0.78) CDK5CDK5R1CBSPTPN1KMT2A
SCHEMBL29435853 0.84 CBS (0.78) CDK5CDK5R1CBSPTPN1KMT2A
Cupressuflavone SCHEMBL505213 0.84 CBS (1.00) CDK5CDK5R1CBSPTPN1KMT2A
SCHEMBL24840880 0.84 KMT2A (0.72) CDK5CDK5R1CBSPTPN1KMT2A
Cupressuflavone SCHEMBL31670258 0.84 CBS (1.00) CDK5CDK5R1CBSPTPN1KMT2A
SCHEMBL28986431 0.84 CBS (0.78) CDK5CDK5R1CBSPTPN1KMT2A
Cupressuflavone SCHEMBL4650575 0.83 CBS (0.97) CDK5CDK5R1CBSPTPN1KMT2A
SCHEMBL14066713 0.81 CBS (0.74) CDK5CDK5R1CBSPTPN1KMT2A
SCHEMBL14053704 0.80 KMT2A (1.00) CDK5CDK5R1CBSPTPN1KMT2A

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
US-20230000121-A1 APIGENIN GLYCOSIDES FLAVOR ENHANCERS OHIO STATE INNOVATION FOUNDATION 2023-01-05 — — US disclosed
WO-2021081429-A1 APIGENIN GLYCOSIDES FLAVOR ENHANCERS OHIO STATE INNOVATION FOUNDATION (US) 2021-04-29 — — WO disclosed
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