SCHEMBL7901816

SCHEMBL7901816

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N(C)Cc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.41
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
KMT2A Q03164 2/20 0.39
ITGB3 P05106 7/20 0.39
ITGA2B P08514 6/20 0.39
ITGAV P06756 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 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
SCHEMBL6127212 0.93 POLB (0.46) POLBHPGDGAATAS1R3TAS1R1
SCHEMBL20530282 0.93 POLB (0.46) POLBHPGDGAATAS1R3TAS1R1
SCHEMBL6127110 0.93 POLB (0.46) POLBHPGDGAATAS1R3TAS1R1
SCHEMBL6122200 0.93 POLB (0.46) POLBHPGDGAATAS1R3TAS1R1
SCHEMBL17009347 0.93 POLB (0.46) POLBHPGDGAATAS1R3TAS1R1
SCHEMBL4698443 0.93 POLB (0.46) POLBHPGDGAATAS1R3TAS1R1
SCHEMBL7900077 0.91 HPGD (0.44) POLBHPGDGAATAS1R3TAS1R1
SCHEMBL4700500 0.89 POLB (0.43) POLBHPGDGAATAS1R3TAS1R1
SCHEMBL7900088 0.89 HPGD (0.46) HPGDGAATAS1R3TAS1R1KMT2A
SCHEMBL7900215 0.88 KMT2A (0.39) POLBGAATAS1R3TAS1R1TRPM8

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