SCHEMBL9837957

SCHEMBL9837957

CCC(C(=O)OCCCCCCCCCCC1=CC(=O)OC1O)N(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.31
ALOX5 P09917 3/20 0.30
PTGS2 P35354 3/20 0.30
HMGCR P04035 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
SCHEMBL7298216 0.73 ACHE (0.39) ALOX5PTGS2HMGCR
SCHEMBL9128562 0.72 ALDH1A1 (0.47) NAAA
SCHEMBL9766944 0.71 CYP3A4 (0.34) NAAAALOX5PTGS2HMGCR
SCHEMBL9838197 0.68 F13A1 (0.46) PTGS2
SCHEMBL9325223 0.67 EP300 (0.39) NAAA
SCHEMBL9746758 0.67 PDCD4 (0.34) NAAA
SCHEMBL10579063 0.66 PDCD4 (0.45)
SCHEMBL10578726 0.66 PDCD4 (0.42)
SCHEMBL10579069 0.66 PDCD4 (0.45)
SCHEMBL10575180 0.66 PDCD4 (0.45)

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-5059611-A Treating psoriasis and modifying calcium homeostatis ALLERGAN, INC. (US) 1991-10-22 US disclosed