SCHEMBL7900215

SCHEMBL7900215

CCCC[C@H](NC(=O)NC(CC(=O)O)c1ccc2c(c1)CCO2)C(=O)N(C)Cc1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
CXCR3 P49682 8/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
FFAR1 O14842 1/20 0.36
SLC6A9 P48067 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.34
HTT P42858 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL7892929 0.93 CXCR3 (0.39) CXCR3TAS1R3TAS1R1FFAR1SLC6A9
SCHEMBL7901816 0.88 POLB (0.45) KMT2ATAS1R3TAS1R1TRPM8GAA
SCHEMBL6122200 0.81 POLB (0.46) KMT2ATAS1R3TAS1R1TRPM8GAA
SCHEMBL17009347 0.81 POLB (0.46) KMT2ATAS1R3TAS1R1TRPM8GAA
SCHEMBL6127110 0.81 POLB (0.46) KMT2ATAS1R3TAS1R1TRPM8GAA
SCHEMBL6127212 0.81 POLB (0.46) KMT2ATAS1R3TAS1R1TRPM8GAA
SCHEMBL4698443 0.81 POLB (0.46) KMT2ATAS1R3TAS1R1TRPM8GAA
SCHEMBL20530282 0.81 POLB (0.46) KMT2ATAS1R3TAS1R1TRPM8GAA
SCHEMBL7900077 0.79 HPGD (0.44) TAS1R3TAS1R1TRPM8GAAPOLB
SCHEMBL4700500 0.78 POLB (0.43) KMT2ATAS1R3TAS1R1TRPM8HTT

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-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US disclosed