SCHEMBL7901896

SCHEMBL7901896

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N1CCC(c2ccccc2OC)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
RORC P51449 5/20 0.43
TACR1 P25103 1/20 0.42
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
F2R P25116 1/20 0.40
CCKBR P32239 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CALCRL Q16602 2/20 0.39
RAMP1 O60894 1/20 0.39

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
SCHEMBL4698338 0.88 ALDH1A1 (0.47) GAARORCTACR1TAS1R3TAS1R1
SCHEMBL7900104 0.81 APOBEC3A (0.47) KMT2AMEN1
SCHEMBL4701020 0.81 P2RY12 (0.43) GAAITGB3ITGA2BTAS1R3TAS1R1
SCHEMBL7892917 0.81 ITGB3 (0.44) GAARORCITGB3ITGA2BF2R
SCHEMBL7900498 0.81 CCR1 (0.46) GAAITGB3ITGA2BF2RCCKBR
SCHEMBL7904100 0.79 ITGB3 (0.41) GAARORCITGB3ITGA2BF2R
SCHEMBL7892907 0.79 KMT2A (0.43) GAARORCITGB3ITGA2BTAS1R3
SCHEMBL7892913 0.78 ITGB3 (0.40) GAAITGB3ITGA2BF2RCCKBR
SCHEMBL4698653 0.78 LMNA (0.47) GAAITGB3ITGA2BF2RTAS1R3
SCHEMBL4702813 0.77 ALDH1A1 (0.45) GAAITGB3ITGA2BF2RTAS1R3

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