SCHEMBL8772836

SCHEMBL8772836

NC1(OC(=O)O)CCNC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
ARG1 P05089 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
SCHEMBL4624265 0.87 KDM4E (0.36) KDM4EKMT2A
SCHEMBL873141 0.74
Hydrochloric Acid SCHEMBL11029381 0.72
SCHEMBL2827340 0.70 TSHR (0.32)
SCHEMBL2833245 0.70
SCHEMBL7405510 0.70 KDM4E (0.41) KDM4EKMT2A
SCHEMBL1840485 0.69 TSHR (0.36)
SCHEMBL2832088 0.69 TSHR (0.36)
SCHEMBL2831752 0.69 TSHR (0.36)
SCHEMBL29956680 0.67

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
EP-0575454-B1 USE OF CUCURBITINE FOR THE PREPARATION OF A COSMETIC OR PHARMACEUTICAL, PARTICULARLY DERMATOLOGICAL, ANTIALLERGIC COMPOSITION AND METHOD INVOLVING APPLICATION THEREOF DIOR CHRISTIAN PARFUMS (FR) 1997-08-27 EP claimed