SCHEMBL30019360

SCHEMBL30019360

CCCCC(C)C(=O)OCC(O)CO

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ DUSP3 P51452 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ DGKA P23743 1/20 0.48
▸ FAAH O00519 4/20 0.46
▸ USP2 O75604 1/20 0.44
▸ CA1 P00915 3/20 0.40
▸ MAPT P10636 1/20 0.39
▸ PLA2G2C Q5R387 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ FFAR1 O14842 1/20 0.37

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
SCHEMBL16675242 0.93 KDM4E (0.61) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL16675241 0.93 KDM4E (0.61) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL6434643 0.93 KDM4E (0.61) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL18036545 0.93 KDM4E (0.61) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL30632279 0.85 DGKA (0.67) KDM4EDUSP3MEN1KMT2ALMNA
Hexadecane SCHEMBL28029400 0.84 KDM4E (0.67) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL12729976 0.84 CYP3A4 (0.46) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL26273160 0.84 CA1 (0.50) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL6138516 0.83 MAPT (0.55) KDM4EDUSP3CA1MAPTCA2
SCHEMBL7224114 0.81 CA1 (0.45) CA1MAPTCA2CYP3A4TSHR

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-20220370534-A1 EXTERNAL COMPOSITION FOR SKIN HAVING ITCHING RELIEVING EFFECT Yangshengtang (anji) Cosmetics Co., Ltd. (CN) 2022-11-24 — — US disclosed
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