SCHEMBL468228

SCHEMBL468228

CCc1nc([C@H](Cc2ccc([N+](=O)[O-])cc2)NC[C@@H](C(=O)c2ccccc2)N(C)C(=O)O)cs1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.40
CCR3 P51677 5/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
USP21 Q9UK80 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
OPRK1 P41145 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
SCHEMBL20475056 0.86 PTPRB (0.44) PTPRBCCR3NPC1TP53RAB9A
SCHEMBL679776 0.84 PTPRB (0.51) PTPRBCCR3NPC1TP53RAB9A
SCHEMBL24534145 0.76 RAB9A (0.41) PTPRBCCR3NPC1RAB9ASMN1; SMN2
SCHEMBL933361 0.76 PTPRB (0.42) PTPRBCCR3NPC1TP53RAB9A
SCHEMBL16059878 0.76 PTPRB (0.42) PTPRBCCR3NPC1TP53RAB9A
SCHEMBL679129 0.75 PTPRB (0.49) PTPRBCCR3NPC1TP53RAB9A
SCHEMBL679881 0.75 PTPRB (0.61) PTPRBCCR3MEN1KMT2A
SCHEMBL679882 0.75 PTPRB (0.61) PTPRBCCR3MEN1KMT2A
SCHEMBL17974590 0.74 PTPRB (0.60) PTPRBCCR3MEN1KMT2A
SCHEMBL684241 0.73 PTPRB (0.72) PTPRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385763-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME Akebia Therapeutics Inc. (US) 2011-11-16 EP disclosed
US-20110253725-A1 MULTI-PORT BEVERAGE AND FOOD CONTAINERS KILLIAN WILLIAM 2011-10-20 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed