SCHEMBL9004512

SCHEMBL9004512

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC=CCNCCCCCC(=O)c1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.43
PLCD1 P51178 1/20 0.42
HLCS P50747 1/20 0.38
POLB P06746 2/20 0.37
FGF1 P05230 1/20 0.36
FGF2 P09038 1/20 0.36
VEGFA P15692 1/20 0.36
HPSE Q9Y251 1/20 0.36
POLA1 P09884 1/20 0.36
POLD1 P28340 1/20 0.36

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
SCHEMBL5685965 0.87 F2 (0.47) F2PLCD1HLCSPOLBPOLA1
SCHEMBL21909 0.87 PLCD1 (0.48) F2PLCD1HLCSFGF1FGF2
SCHEMBL1926090 0.86 PLCD1 (0.48) F2PLCD1HLCSFGF1FGF2
SCHEMBL20129499 0.83 PLCD1 (0.49) F2PLCD1HLCSFGF1FGF2
SCHEMBL29426309 0.83 PLCD1 (0.49) F2PLCD1HLCSFGF1FGF2
SCHEMBL29627228 0.82 PLCD1 (0.47) F2PLCD1HLCSPOLBFGF1
SCHEMBL7644975 0.79 PLCD1 (0.43) F2PLCD1HLCSFGF1FGF2
Biotin SCHEMBL9328971 0.79 F2 (0.46) F2HLCSPOLBPOLA1POLD1
SCHEMBL7532610 0.79 PLCD1 (0.48) F2PLCD1HLCSFGF1FGF2
Biotin SCHEMBL9489122 0.78 F2 (0.48) F2HLCSPOLB

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-5527711-A Method and reagents for binding chemical analytes to a substrate surface, and related analytical devices and diagnostic techniques HEWLETT PACKARD COMPANY (US) 1996-06-18 US disclosed
EP-0657737-A2 Method and reagents for binding chemical analytes to a substrate surface, and related analytical devices and diagnostic techniques Hewlett-Packard Company (US) 1995-06-14 EP disclosed