SCHEMBL9749608

SCHEMBL9749608

CCCCCCCCCCCCC(OC(=O)[C@@H](N)CCC(N)=O)C1=CC(=O)OC1O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.36
PDCD4 Q53EL6 7/20 0.35
ABHD16A O95870 1/20 0.33
NOD1 Q9Y239 1/20 0.32
NAAA Q02083 1/20 0.32
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9749592 0.92 S1PR1 (0.39) DAGLAPDCD4NOD1KMT2A
SCHEMBL9749601 0.92 S1PR1 (0.39) DAGLAPDCD4NOD1KMT2A
SCHEMBL9326904 0.81 LMNA (0.42) PDCD4
SCHEMBL9671381 0.81 PDCD4 (0.47) PDCD4NAAA
SCHEMBL14339054 0.81 PDCD4 (0.47) PDCD4NAAA
SCHEMBL8985076 0.81 PDCD4 (0.47) PDCD4NAAA
SCHEMBL7294590 0.81 PDCD4 (0.47) PDCD4NAAA
SCHEMBL9745643 0.80 PDCD4 (0.38) DAGLAPDCD4NAAA
SCHEMBL8985047 0.78 PRKCA (0.40) PDCD4
SCHEMBL9325019 0.78 PDCD4 (0.38) DAGLAPDCD4NAAA

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-5089485-A ANTI-INFLAMMATORY FURANONES ALLERGAN, INC. (US) 1992-02-18 US disclosed
EP-0369811-A2 Anti-inflammatory furanones ALLERGAN, INC (US) 1990-05-23 EP disclosed