SCHEMBL7031903

SCHEMBL7031903

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PMP22 Q01453 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SLC29A1 Q99808 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ DNPH1 O43598 1/20 0.41
▸ NPEPPS P55786 2/20 0.40

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
SCHEMBL31533316 0.91 RXFP1 (0.51) RXFP1P2RX3P2RX4
SCHEMBL7039480 0.91 RXFP1 (0.51) RXFP1P2RX3P2RX4
SCHEMBL7036534 0.80 RXFP1 (0.46) RXFP1P2RX3P2RX4TP53
SCHEMBL7037427 0.77 RXFP1 (0.51) RXFP1P2RY12P2RX3P2RX4
SCHEMBL31533317 0.76 RXFP1 (0.53) RXFP1P2RX3P2RX4
SCHEMBL30239003 0.75 RXFP1 (0.43) RXFP1NPEPPSP2RX3P2RX4
SCHEMBL14005578 0.74 RXFP1 (0.47) RXFP1P2RY12P2RX3P2RX4
SCHEMBL23120402 0.74 PI4KA (0.43) RXFP1P2RY12P2RX3P2RX4
SCHEMBL23120397 0.74 PI4KA (0.43) RXFP1P2RY12P2RX3P2RX4
SCHEMBL7037167 0.74 RXFP1 (0.56) RXFP1P2RY12P2RX3P2RX4

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
EP-0991412-B1 AMINOACYL SULFAMIDES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS CUBIST PHARM INC (US) 2003-03-12 — — EP disclosed
US-5824657-A ANTICARCINOGENIC AGENTS, SKIN DISORDERS AND PSORIASIS CUBIST PHARMACEUTICALS, INC. (US) 1998-10-20 — — US disclosed
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